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Basic Description
| Synonyms | CHEBI:85098 | FT-0627522 | Ethane, isothiocyanato- | ETHYL ISOTHIOCYANATE [MI] | STL194264 | Isothiocyanic acid, ethyl ester | EN300-19657 | AKOS000119775 | EINECS 208-831-2 | ETHYLISOTHIOCYANATE | ethylisothio-cyanate | D94745 | ETHYL ISOTHIOCYANATE [FHF |
|---|---|
| Specifications & Purity | ≥95%(GC) |
| Storage Temp | Argon charged |
| Shipped In | Normal |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organosulfur compounds
- Class Isothiocyanates
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Superclass
Organosulfur compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organosulfur compounds |
| Class | Isothiocyanates |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Isothiocyanates |
| Alternative Parents | Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Isothiocyanate - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as isothiocyanates. These are organic compounds containing the isothiocyanate group, an isocyanate analogue with the general formula RN=C=S. |
| External Descriptors | isothiocyanate |
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Associated Targets(non-human)
Pectobacterium carotovorum (295 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Rhizoctonia solani (2251 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Sclerotinia sclerotiorum (877 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Names and Identifiers
| Pubchem Sid | 504752038 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504752038 |
| IUPAC Name | isothiocyanatoethane |
| INCHI | InChI=1S/C3H5NS/c1-2-4-3-5/h2H2,1H3 |
| InChIKey | HBNYJWAFDZLWRS-UHFFFAOYSA-N |
| Smiles | CCN=C=S |
| Isomeric SMILES | CCN=C=S |
| WGK Germany | 3 |
| RTECS | NX8590000 |
| Molecular Weight | 87.14 |
| Beilstein | 1737705 |
| Reaxy-Rn | 1737705 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1737705&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 I2126098 |
Certificate of Analysis | Jul 09, 2025 | E140613 |
| C1701093 |
Certificate of Analysis | Oct 12, 2024 | E140613 |
| J2010104 |
Certificate of Analysis | Aug 20, 2024 | E140613 |
| J2010105 |
Certificate of Analysis | Aug 20, 2024 | E140613 |
| I2424325 |
Certificate of Analysis | Jun 26, 2024 | E140613 |
| I2424326 |
Certificate of Analysis | Jun 26, 2024 | E140613 |
| I2424328 |
Certificate of Analysis | Jun 26, 2024 | E140613 |
| J2411639 |
Certificate of Analysis | Jun 26, 2024 | E140613 |
| I2424321 |
Certificate of Analysis | Jun 26, 2024 | E140613 |
| I2424322 |
Certificate of Analysis | Jun 26, 2024 | E140613 |
| K2230737 |
Certificate of Analysis | Nov 07, 2022 | E140613 |
| K2230587 |
Certificate of Analysis | Nov 07, 2022 | E140613 |
| K2230640 |
Certificate of Analysis | Nov 07, 2022 | E140613 |
| K2230588 |
Certificate of Analysis | Nov 07, 2022 | E140613 |
| I1825126 |
Certificate of Analysis | Jul 21, 2022 | E140613 |
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Chemical and Physical Properties
| Solubility | Reacts with water. Soluble in chlorinated and aromatic hydrocarbons. Miscible in ethanol and ether. |
|---|---|
| Sensitivity | Moisture Sensitive |
| Refractive Index | 1.511 |
| Flash Point(°F) | 75.2°F |
| Flash Point(°C) | 24°C |
| Boil Point(°C) | 132°C |
| Melt Point(°C) | -6℃ |
| Molecular Weight | 87.150 g/mol |
| XLogP3 | 1.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 87.0143 Da |
| Monoisotopic Mass | 87.0143 Da |
| Topological Polar Surface Area | 44.500 Ų |
| Heavy Atom Count | 5 |
| Formal Charge | 0 |
| Complexity | 53.900 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
Citations of This Product
| 1. Yubo Wu, Xiaoxu Deng, Ruirui Cui, Meiyang Song, Xiang Guo, Xingyong Gong, Jie He, Peng Chen. (2024) Electronic configuration inversion in CdIn2S4 for efficient photocatalytic hydrogen peroxide generation coupled with selective benzylamine oxidation. JOURNAL OF COLLOID AND INTERFACE SCIENCE, 656 (528). |
| 2. Chen Zichun, Su Tongming, Luo Xuan, Qin Zuzeng, Ji Hongbing. (2023) Preparation of CuFe2O4/In2S3 composite for photocatalytic degradation of tetracycline under visible light irradiation. Reaction Kinetics Mechanisms and Catalysis, (1-20). |
| 3. Fangwei Qi, Huixing Li, Gang Chen, Shuping Peng, Xingrui Luo, Shiyu Xiong, Hua Zhu, Cijun Shuai. (2023) A CuS@g-C3N4 heterojunction endows scaffold with synergetic antibacterial effect. COLLOIDS AND SURFACES B-BIOINTERFACES, 230 (113512). |
| 4. Jiafeng Xi, Xiaojuan Liu, Liang Zhang, Zuwang Zhang, Junchen Zhuo, Ting Du, Yajie Zhang, Jinyou Duan, Hongliang Dong, Jianlong Wang. (2023) Engineering of Schottky heterojunction in Ru@Bi2S3/Nb2C MXene based on work function with enhanced carrier separation for promoted sterilization. CHEMICAL ENGINEERING JOURNAL, 473 (145169). |
| 5. Jie Liu, Linye Ji, Junyi Yu, Shanjun Ding, Suibin Luo, Baojin Chu, Jianbin Xu, Rong Sun, Shuhui Yu. (2023) Enhanced breakdown strength and electrostatic energy density of polymer nanocomposite films realized by heterostructure ZnO-ZnS nanoparticles. CHEMICAL ENGINEERING JOURNAL, 456 (140950). |
| 6. Peng Long, Qiang Xu, Gang Peng, Xiayin Yao, Xiaoxiong Xu. (2016) NiS Nanorods as Cathode Materials for All-Solid-State Lithium Batteries with Excellent Rate Capability and Cycling Stability. ChemElectroChem, 3 (5): (764-769). |
| 7. Min Wang, Haitao Zhao, Limin Zhao, Jianmin Dou, Xingliang Yin. (2024) Constructing GO films/CdS nanoparticles/MoS2 nanosheets ternary nanojunction with enhanced photocatalytic hydrogen evolution activity. COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS, 701 (134900). |
| 8. Jing Wang, Xingyu Niu, Rui Wang, Kun Zhang, Xinyi Shi, Hui Ying Yang, Jilei Ye, Yuping Wu. (2025) High-entropy alloy-enhanced ZnCdS nanostructure photocatalysts for hydrogen production. APPLIED CATALYSIS B-ENVIRONMENTAL, 362 (124763). |
| 9. Yunqi Ning, Shan Wang, Hanbing Wang, Wei Quan, Daqi Lv, Shansheng Yu, Xiaoying Hu, Hongwei Tian. (2024) Novel hollow core-shell Zn0.5Cd0.5S@ZnIn2S4/MoS2 nanocages with Z-scheme heterojunction for enhanced photocatalysis of hydrogen generation. JOURNAL OF COLLOID AND INTERFACE SCIENCE, 662 (928). |
| 10. Ziyi Li, Jia Xiong, Yufei Huang, Yangqiang Huang, Geoffrey I.N. Waterhouse, Ziyun Wang, Yu Mao, Zhiwu Liang, Xiao Luo. (2024) Rational design of spatial charge separation and targeted active site Cu for highly selective photocatalytic CO2 reduction to CH4. CHEMICAL ENGINEERING JOURNAL, 495 (153310). |
| 11. Hanbing Wang, Yunqi Ning, Qi Tang, Xueyang Li, Mengdi Hao, Qun Wei, Tingting Zhao, Daqi Lv, Hongwei Tian. (2024) Ultrathin 2D/2D ZnIn2S4/La2Ti2O7 nanosheets with Z-scheme heterojunction for enhanced photocatalytic hydrogen evolution. DALTON TRANSACTIONS, |
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