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Thisosalicyilic acid - 99%, high purity , CAS No.147-93-3
Basic Description
Synonyms
o-Thiosalicylic acid | o-Mercaptobenzoic acid | o-Sulfhydrylbenzoic acid | 2-Thiosalicylic acid | o-Carboxythiophenol | 2-Mercaptobenzoic acid | o-Benzoic acid thiol | 2-Sulfanylbenzoic acid | 2-Carboxythiophenol
Specifications & Purity
≥99%
Storage Temp
Protected from light,Argon charged
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Sulfanylbenzoic acids and derivatives - O-sulfanylbenzoic acids and derivatives
Direct Parent
O-sulfanylbenzoic acids
Alternative Parents
Benzoic acids Thiophenols Benzoyl derivatives Monocarboxylic acids and derivatives Carboxylic acids Thiols Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
O-sulfanylbenzoic acid - Benzoic acid - Thiophenol - Benzoyl - Arylthiol - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as o-sulfanylbenzoic acids. These are benzoic acids which bear a sulfanyl group (R-SH) attached to the benzene ring at positions 1 and 2, respectively.
External Descriptors
sulfanylbenzoic acid
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
488179901
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488179901
IUPAC Name
2-sulfanylbenzoic acid
INCHI
InChI=1S/C7H6O2S/c8-7(9)5-3-1-2-4-6(5)10/h1-4,10H,(H,8,9)
InChIKey
NBOMNTLFRHMDEZ-UHFFFAOYSA-N
Smiles
C1=CC=C(C(=C1)C(=O)O)S
Isomeric SMILES
C1=CC=C(C(=C1)C(=O)O)S
WGK Germany
3
RTECS
DH3325000
PubChem CID
5443
Molecular Weight
154.19
Beilstein
508507
Reaxy-Rn
508507
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Soluble in dimethyl sulfoxide, alcohol and ether. Slightly soluble in water, ethanol and alkanes
Sensitivity
Air & Ligh sensitive
Flash Point(°F)
302 °F
Flash Point(°C)
150℃
Melt Point(°C)
164-165°C
Molecular Weight
154.190 g/mol
XLogP3
2.400
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
154.009 Da
Monoisotopic Mass
154.009 Da
Topological Polar Surface Area
38.300 Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
136.000
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.
Jing Fu, Junxiao Liu, Yanyu Li, Chen Wang, Jinglin Shen, Wei Qi.
(2023)
Gold nanoclusters with enhanced near-infrared emission and its application as sensors for biological molecules. ANALYTICA CHIMICA ACTA,
1258
(341172).
2.
Yu Wang, Rao Chen, Dongmei Liu, Chaofei Peng, Junwei Wang, Xiaoqing Dong.
(2023)
New functionalized thioxanthone derivatives as type I photoinitiators for polymerization under UV-Vis LEDs. NEW JOURNAL OF CHEMISTRY,
47
(11):
(5330-5337).
3.
Ming-Hui Sun, Ming-Yu Qi, Zi-Rong Tang, Yi-Jun Xu.
(2023)
Dual cocatalysts decorated CdS nanoparticles for efficient dehydrocoupling of thiols into disulfides. APPLIED CATALYSIS B-ENVIRONMENTAL,
321
(122019).
4.
Yao Zhong, Cuiying Huang, Lijie Li, Qiang Deng, Jun Wang, Zheling Zeng, Shuguang Deng.
(2022)
Postsynthetic acid modification of amino-tagged metal-organic frameworks: Structure-function relationship for catalytic 5-hydroxymethylfurfural synthesis. CHINESE JOURNAL OF CHEMICAL ENGINEERING,
49
(245).
5.
Yulian Li, Weiyao Xi, Irshad Hussain, Meiling Chen, Bien Tan.
(2021)
Facile preparation of silver nanocluster self-assemblies with aggregation-induced emission by equilibrium shifting. Nanoscale,
13
(33):
(14207-14213).
6.
Yihuan Song, Qingfang Ma, Heyong Cheng, Jinhua Liu, Yuanchao Wang.
(2021)
Simultaneous enrichment of inorganic and organic species of lead and mercury in pg L−1 levels by solid phase extraction online combined with high performance liquid chromatography and inductively coupled plasma mass spectrometry. ANALYTICA CHIMICA ACTA,
1157
(338388).
7.
Jianhang Li, Guanbin Gao, Xintong Tang, Meng Yu, Meng He, Taolei Sun.
(2021)
Isomeric Effect of Nano-Inhibitors on Aβ40 Fibrillation at The Nano-Bio Interface. ACS Applied Materials & Interfaces,
13
(4):
(4894–4904).
8.
Shiwei Yang, Yihuan Song, Qingfang Ma, Heyong Cheng, Yuanchao Wang, Jinhua Liu.
(2020)
Quantification of ultra-trace organolead species in environmental water by inductively coupled plasma mass spectrometry with online solid-phase extraction and high performance liquid chromatographic separation. ANALYTICA CHIMICA ACTA,
1133
(30).
9.
Ronghui Yuan, Huihui He, Jinfei Huang, Chang Su.
(2019)
Characterization of interfacial behaviour of ortho-positioned diaryl disulfide on silver substrates by surface-enhanced Raman scattering and electroreduction. MATERIALS CHEMISTRY AND PHYSICS,
235
(121726).
10.
P. Jia, Y. Ma, Q. Kong, L. Xu, Y. Hu, L. Hu, Y. Zhou.
(2019)
Graft modification of polyvinyl chloride with epoxidized biomass-based monomers for preparing flexible polyvinyl chloride materials without plasticizer migration. Materials Today Chemistry,
13
(49).
11.
Shiwei Yang, Danyu Zhang, Heyong Cheng, Yuanchao Wang, Jinhua Liu.
(2019)
Graphene oxide as an efficient adsorbent of solid-phase extraction for online preconcentration of inorganic and organic mercurials in freshwater followed by HPLC-ICP-MS determination. ANALYTICA CHIMICA ACTA,
1074
(54).
12.
Xiaoqing Dong, Weizhen Shen, Peng Hu, Zhiquan Li, Ren Liu, Xiaoya Liu.
(2015)
Efficient Benzodioxole-based unimolecular photoinitiators: From synthesis to photopolymerization under UV-A and visible LED light irradiation. JOURNAL OF APPLIED POLYMER SCIENCE,
133
(13):
13.
Xiaoqing Dong, Peng Hu, Guigang Zhu, Zhiquan Li, Ren Liu, Xiaoya Liu.
(2015)
Thioxanthone acetic acid ammonium salts: highly efficient photobase generators based on photodecarboxylation. RSC Advances,
5
(66):
(53342-53348).
14.
Yan Xie, Junjie He, Tingting Wang, Heping Zeng.
(2015)
Syntheses, structures, and luminescence of two Zn(II) coordination polymers based on 5-(4-imidazol-1-yl-phenyl)-2H-tetrazole and carboxylates. JOURNAL OF COORDINATION CHEMISTRY,
15.
Xuemei Hu, Zhaode Mu, Yueyuan Li, Lijuan Bai, Min Qing.
(2025)
Metal–organic frameworks-scaffold gold nanoclusters enabled aggregation-induced enhanced fluorescent sensor array for high-throughput detection of heavy metal ions. MICROCHEMICAL JOURNAL,
210
(113020).
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15 Citations
C2519669