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2-Imidazolidinetione - 97%, high purity , CAS No.96-45-7
Basic Description
Synonyms
2-Imidazolidinethione | 2-imidazolidine-thione | HMS3372A09 | NA-22-D | DTXCID90601 | Ethylene thiourea (ETU) | Imidazole-2(3H)-thione, 4,5-dihydro- | Opera_ID_324 | 2-MERCAPTO IMIDAZOLINE | AI3-16292 | AKOS000120435 | Tox21_301034 | NA 22 | Rodanin S-62
Specifications & Purity
≥97%
Shipped In
Normal
Product Description
2-Imidazolidinethione has been used as a source of nitrogen and sulfur in the preparation of heteroatom functionalized carbon dots with enhanced photoluminescence (PL) emissions. It is a precursor for the synthesis of gel-polymer electrolyte based on cross-linked polyepichlorohydrin terpolymer (GECO), which can be used in lithium-sulfur batteries. It is also used as a vulcanization accelerator in the preparation of styrene-butadiene rubber (SBR) and rubber composites.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azolidines
Subclass
Imidazolidines
Intermediate Tree Nodes
Not available
Direct Parent
Imidazolidines
Alternative Parents
Thioureas Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Imidazolidine - Thiourea - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as imidazolidines. These are organic compounds containing an imidazolidine ring, which is a saturated ring (derived from imidazole) with two nitrogen atoms at positions 1 and 3 respectively, and containing only single bonds.
External Descriptors
imidazolidines
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
Pubchem Sid
488192171
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488192171
IUPAC Name
imidazolidine-2-thione
INCHI
InChI=1S/C3H6N2S/c6-3-4-1-2-5-3/h1-2H2,(H2,4,5,6)
InChIKey
PDQAZBWRQCGBEV-UHFFFAOYSA-N
Smiles
C1CNC(=S)N1
Isomeric SMILES
C1CNC(=S)N1
WGK Germany
2
RTECS
NI9625000
UN Number
2811
Packing Group
I
Molecular Weight
102.16
Beilstein
106275
Reaxy-Rn
106275
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=106275&ln=
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Slightly soluble in water; Degree of Solubility in water: 20 g/l 30 °C; Soluble in Methanol,Ethanol; Insoluble in Acetone,Chloroform,Ether,Benzene
Sensitivity
Moisture sensitive.
Flash Point(°C)
252°C
Melt Point(°C)
203-204°C
Molecular Weight
102.160 g/mol
XLogP3
-0.700
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
0
Exact Mass
102.025 Da
Monoisotopic Mass
102.025 Da
Topological Polar Surface Area
56.200 Ų
Heavy Atom Count
6
Formal Charge
0
Complexity
63.200
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.
Zhu Yanshaozuo, Shen Xixun, Chen Qian, Xu Qunjie.
(2023)
Preparation and Corrosion Resistance of Silicate Phosphate Composite Passivation Film on Zinc Substrate by Simple Chemical Impregnation Method.
JOM,
(1-17).
2.
Miao Tian, Jianbo Shuai, Brandon A. Bishop, Wei Zhang, Jimei Chen, Xiaohui Wang.
(2023)
Plant cellulose-based biomimetic artificial Small-Diameter vascular materials enabled by gradient Dual-Network entanglement.
CHEMICAL ENGINEERING JOURNAL,
476
(146751).
3.
Jingming Wang, Zhiquan Yu, Yongfeng Wang, Yuanyao Chen, Lin Xiao, Yanjun Zong, Qiyuan Feng, Lianqi Peng, Huiping Zhang, Chunyan Liu.
(2024)
Ethylene thiourea exposure induces neurobehavioral toxicity in zebrafish by disrupting axon growth and neuromuscular junctions.
Journal of Environmental Sciences,
137
(108).
4.
Feifei Xu, Jianghong Zhao, Jianlong Wang, Taotao Guan, Kaixi Li.
(2022)
Strong coordination ability of sulfur with cobalt for facilitating scale-up synthesis of Co9S8 encapsulated S, N co-doped carbon as a trifunctional electrocatalyst for oxygen reduction reaction, oxygen and hydrogen evolution reaction.
JOURNAL OF COLLOID AND INTERFACE SCIENCE,
608
(2623).
5.
Aying Wen, Fang Gao, Boru Guo, Linquan Wang, Shaofeng Yuan, Hang Yu, Yahui Guo, Yuliang Cheng, Ling Yang, Weirong Yao.
(2024)
Electrolyzed water combined with ozone treatment for efficient removal of mancozeb residues from grapes.
JOURNAL OF FOOD SCIENCE,
89
(11):
(7521-7533).
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