2-Amino-3-chlorobenzenethiol
2-Amino-3-chlorobenzenethiol structure
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Common Name | 2-Amino-3-chlorobenzenethiol | ||
|---|---|---|---|---|
| CAS Number | 40925-72-2 | Molecular Weight | 159.637 | |
| Density | 1.4±0.1 g/cm3 | Boiling Point | 254.9±20.0 °C at 760 mmHg | |
| Molecular Formula | C6H6ClNS | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 108.0±21.8 °C | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2-Amino-3-Chlorothiophenol |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.4±0.1 g/cm3 |
|---|---|
| Boiling Point | 254.9±20.0 °C at 760 mmHg |
| Molecular Formula | C6H6ClNS |
| Molecular Weight | 159.637 |
| Flash Point | 108.0±21.8 °C |
| Exact Mass | 158.990952 |
| PSA | 64.82000 |
| LogP | 2.39 |
| Vapour Pressure | 0.0±0.5 mmHg at 25°C |
| Index of Refraction | 1.672 |
| InChIKey | XERMPLQXCQQVGU-UHFFFAOYSA-N |
| SMILES | Nc1c(S)cccc1Cl |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xi |
|---|---|
| HS Code | 2930909090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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2-Amino-3-chlor... CAS#:40925-72-2 |
| Literature: Inoue, Hirozumi; Konda, Mikihiko; Hashiyama, Tomiki; Otsuka, Hisao; Takahashi, Kaoru; et al. Journal of Medicinal Chemistry, 1991 , vol. 34, # 2 p. 675 - 687 |
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2-Amino-3-chlor... CAS#:40925-72-2 |
| Literature: Ye, Xiaocong Michael; Garofalo, Albert W.; Lawler, Rose D.; Fukuda, Juri Y.; Konradi, Andrei W.; Holcomb, Ryan; Rossiter, Kassandra I.; Wone, David W.G.; Wu, Jing Patent: US2007/32475 A1, 2007 ; Location in patent: Page/Page column 35-36 ; US 20070032475 A1 |
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2-Amino-3-chlor... CAS#:40925-72-2 |
| Literature: Gupta, R. R.; Ojha, K. G.; Kalwania, G. S.; Kumar, M. Heterocycles, 1980 , vol. 14, # 8 p. 1145 - 1149 |
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2-Amino-3-chlor... CAS#:40925-72-2 |
| Literature: Gupta, R. R.; Ojha, K. G.; Kalwania, G. S.; Kumar, M. Heterocycles, 1980 , vol. 14, # 8 p. 1145 - 1149 |
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2-Amino-3-chlor... CAS#:40925-72-2 |
| Literature: Sharma, Praveen Kumar; Fogla, Ankur; Rathore; Kumar Research on Chemical Intermediates, 2011 , vol. 37, # 8 p. 1103 - 1111 |
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2-Amino-3-chlor... CAS#:40925-72-2 |
| Literature: Fink, Brian E.; Gavai, Ashvinikumar V.; Tokarski, John S.; Goyal, Bindu; Misra, Raj; Xiao, Hai-Yun; Kimball, S. David; Han, Wen-Ching; Norris, Derek; Spires, Thomas E.; You, Dan; Gottardis, Marco M.; Lorenzi, Matthew V.; Vite, Gregory D. Bioorganic and Medicinal Chemistry Letters, 2006 , vol. 16, # 6 p. 1532 - 1536 |
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2-Amino-3-chlor... CAS#:40925-72-2 |
| Literature: Gupta; Ojha; Kumar Journal of Heterocyclic Chemistry, 1980 , vol. 17, # 6 p. 1325 - 1327 |
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2-Amino-3-chlor... CAS#:40925-72-2 |
| Literature: Kotani, Takayuki; Ishii, Akira; Nagaki, Yasuhiro; Toyomaki, Yoshio; Yago, Hisashi; Suehiro, Seishi; Okukado, Nobuhisa; Okamoto, Kaoru Chemical and Pharmaceutical Bulletin, 1997 , vol. 45, # 2 p. 297 - 304 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 7 | |
|---|---|
| DownStream 8 | |
![1-chloro-12H-quinoxalino[2,3-b][1,4]benzothiazine structure](https://image.chemsrc.com/caspic/305/110744-29-1.png)
CAS#:110744-29-1![(3-(4-CHLOROBENZO[D]THIAZOL-2-YL)PHENYL)BORONIC ACID structure](https://image.chemsrc.com/caspic/314/1076232-78-4.png)
CAS#:1076232-78-4
CAS#:110704-20-6
CAS#:1910-85-6
CAS#:76462-11-8
CAS#:76462-13-0
CAS#:93075-15-1
CAS#:93075-23-1This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2930909090 |
|---|---|
| Summary | 2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 2-Amino-3-chlorobenzenethiol |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the polar surface area (PSA) of 2-Amino-3-Chlorothiophenol? |
| A: Polar surface area (PSA) of 2-Amino-3-Chlorothiophenol is 64.82000. |
| Q: What is the LogP of 2-Amino-3-Chlorothiophenol? |
| A: LogP of 2-Amino-3-Chlorothiophenol is 2.39. |
| Q: What is the molecular weight of 2-Amino-3-Chlorothiophenol? |
| A: Molecular weight of 2-Amino-3-Chlorothiophenol is 159.637. |
| Q: What is the InChIKey of 2-Amino-3-Chlorothiophenol? |
| A: InChIKey of 2-Amino-3-Chlorothiophenol is XERMPLQXCQQVGU-UHFFFAOYSA-N. |
| Q: What English synonyms does 2-Amino-3-Chlorothiophenol have? |
| A: English synonyms of 2-Amino-3-Chlorothiophenol: 2-Amino-3-chlorobenzenethiol. |
| Q: What are the downstream products of 2-Amino-3-Chlorothiophenol? |
| A: Related downstream products(CAS) of 2-Amino-3-Chlorothiophenol: 110744-29-1;1076232-78-4;110704-20-6;1910-85-6;76462-11-8;76462-13-0;93075-15-1;93075-23-1. |
| Q: What are the upstream materials of 2-Amino-3-Chlorothiophenol? |
| A: Related upstream materials(CAS) of 2-Amino-3-Chlorothiophenol: 19952-47-7;351216-87-0;5344-82-1;95-51-2;27058-83-9;137-04-2;3048-45-1. |
| Q: What is the SMILES notation of 2-Amino-3-Chlorothiophenol? |
| A: SMILES notation of 2-Amino-3-Chlorothiophenol is Nc1c(S)cccc1Cl. |
| Q: What is the molecular formula of 2-Amino-3-Chlorothiophenol? |
| A: Molecular formula of 2-Amino-3-Chlorothiophenol is C6H6ClNS. |
| Q: What is the English name of 2-Amino-3-Chlorothiophenol? |
| A: The English name of 2-Amino-3-Chlorothiophenol is 2-Amino-3-Chlorothiophenol. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |