2-metcapto-5-chloro-benzothiazole
2-metcapto-5-chloro-benzothiazole structure
|
Common Name | 2-metcapto-5-chloro-benzothiazole | ||
|---|---|---|---|---|
| CAS Number | 5331-91-9 | Molecular Weight | 201.696 | |
| Density | 1.6±0.1 g/cm3 | Boiling Point | 333.2±44.0 °C at 760 mmHg | |
| Molecular Formula | C7H4ClNS2 | Melting Point | 198-200 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | 155.3±28.4 °C | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 5-Chloro-2-mercaptobenzothiazole |
|---|---|
| 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 | 1.6±0.1 g/cm3 |
|---|---|
| Boiling Point | 333.2±44.0 °C at 760 mmHg |
| Melting Point | 198-200 °C(lit.) |
| Molecular Formula | C7H4ClNS2 |
| Molecular Weight | 201.696 |
| Flash Point | 155.3±28.4 °C |
| Exact Mass | 200.947372 |
| PSA | 79.93000 |
| LogP | 3.41 |
| Vapour Pressure | 0.0±0.7 mmHg at 25°C |
| Index of Refraction | 1.786 |
| InChIKey | NKYDKCVZNMNZCM-UHFFFAOYSA-N |
| SMILES | S=c1[nH]c2cc(Cl)ccc2s1 |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
|
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Personal Protective Equipment | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
|---|---|
| Hazard Codes | Xi |
| Risk Phrases | 36/37/38 |
| Safety Phrases | S26-S37 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| RTECS | DL6490000 |
| HS Code | 2934999090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
|
~94%
2-metcapto-5-ch... CAS#:5331-91-9 |
| Literature: Hoechst A.G. Patent: US4431813 A1, 1984 ; |
|
~94%
2-metcapto-5-ch... CAS#:5331-91-9 |
| Literature: Huang, Wei; Tan, Ying; Ding, Ming-Wu; Yang, Guang-Fu Synthetic Communications, 2007 , vol. 37, # 3 p. 369 - 376 |
|
~75%
2-metcapto-5-ch... CAS#:5331-91-9 |
| Literature: Stella, Alessandro; Segers, Kenneth; De Jonghe, Steven; Vanderhoydonck, Bart; Rozenski, Jef; Anne, Jozef; Herdewijn, Piet Chemistry and Biodiversity, 2011 , vol. 8, # 2 p. 253 - 265 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 4 | |
|---|---|
| DownStream 10 | |
CAS#:3507-41-3
CAS#:20174-72-5![5-CHLOROBENZO[D]THIAZOLE structure](https://image.chemsrc.com/caspic/125/2786-51-8.png)
CAS#:2786-51-8
CAS#:20600-44-6
CAS#:2941-48-2![2-(5-CHLOROBENZO[D]THIAZOL-2-YLTHIO)PROPANAMIDE structure](https://image.chemsrc.com/caspic/029/74537-45-4.png)
CAS#:74537-45-4
CAS#:85750-08-9![2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetonitrile structure](https://image.chemsrc.com/caspic/179/90660-75-6.png)
CAS#:90660-75-6![3-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]propanenitrile structure](https://image.chemsrc.com/caspic/394/92064-61-4.png)
CAS#:92064-61-4
CAS#:110672-07-6This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2934999090 |
|---|---|
| Summary | 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
This table lists relevant public references with title, journal and publication metadata for this compound.
|
Analysis of carbohydrates and glycoconjugates by matrix-assisted laser desorption/ionization mass spectrometry: an update for 2009-2010.
Mass Spectrom. Rev. 34(3) , 268-422, (2015) This review is the sixth update of the original article published in 1999 on the application of MALDI mass spectrometry to the analysis of carbohydrates and glycoconjugates and brings coverage of the ... |
|
|
In Vitro, Ex Vivo, and In Vivo Determination of Thyroid Hormone Modulating Activity of Benzothiazoles.
Toxicol. Sci. 146 , 254-64, (2015) As in vitro assays are increasingly used to screen chemicals for their potential to produce endocrine disrupting adverse effects, it is important to understand their predictive capacity. The potential... |
|
|
Matrix optimization for matrix-assisted laser desorption/ionization mass spectrometry of oligosaccharides from human milk.
J. Mass Spectrom. 34 , 98-104, (1999) Neutral and acidic oligosaccharides from human milk were analyzed by matrix-assisted laser desorption/ionization mass spectrometry (MALDI/MS). These experiments require suitable matrices; their select... |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| MFCD00005783 |
| 5-Chlorobenzo[d]thiazole-2-thiol |
| 5-Chlorobenzo[d]thiazole-2(3H)-thione |
| 2-metcapto-5-chloro-benzothiazole |
| 5-Chloro-1,3-benzothiazole-2(3H)-thione |
| 5-Chloro-2-benzothiazolethiol,CMBT |
| 5-chloro-3H-1,3-benzothiazole-2-thione |
| EINECS 226-235-0 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the CAS number of 5-Chloro-2-mercaptobenzothiazole? |
| A: CAS number of 5-Chloro-2-mercaptobenzothiazole is 5331-91-9. |
| Q: What English synonyms does 5-Chloro-2-mercaptobenzothiazole have? |
| A: English synonyms of 5-Chloro-2-mercaptobenzothiazole: MFCD00005783, 5-Chlorobenzo[d]thiazole-2-thiol, 5-Chlorobenzo[d]thiazole-2(3H)-thione, 2-metcapto-5-chloro-benzothiazole, 5-Chloro-1,3-benzothiazole-2(3H)-thione, 5-Chloro-2-benzothiazolethiol,CMBT, 5-chloro-3H-1,3-benzothiazole-2-thione, EINECS 226-235-0. |
| Q: What are the upstream materials of 5-Chloro-2-mercaptobenzothiazole? |
| A: Related upstream materials(CAS) of 5-Chloro-2-mercaptobenzothiazole: 95-82-9;140-89-6;75-15-0;1004-00-8. |
| Q: What is the safety information for 5-Chloro-2-mercaptobenzothiazole? |
| A: Safety information for 5-Chloro-2-mercaptobenzothiazole: S26-S37. |
| Q: What is the boiling point of 5-Chloro-2-mercaptobenzothiazole? |
| A: Boiling point of 5-Chloro-2-mercaptobenzothiazole is 333.2±44.0 °C at 760 mmHg. |
| Q: What is the InChIKey of 5-Chloro-2-mercaptobenzothiazole? |
| A: InChIKey of 5-Chloro-2-mercaptobenzothiazole is NKYDKCVZNMNZCM-UHFFFAOYSA-N. |
| Q: What is the molecular formula of 5-Chloro-2-mercaptobenzothiazole? |
| A: Molecular formula of 5-Chloro-2-mercaptobenzothiazole is C7H4ClNS2. |
| Q: What is the LogP of 5-Chloro-2-mercaptobenzothiazole? |
| A: LogP of 5-Chloro-2-mercaptobenzothiazole is 3.41. |
| Q: What are the downstream products of 5-Chloro-2-mercaptobenzothiazole? |
| A: Related downstream products(CAS) of 5-Chloro-2-mercaptobenzothiazole: 3507-41-3;20174-72-5;2786-51-8;20600-44-6;2941-48-2;74537-45-4;85750-08-9;90660-75-6;92064-61-4;110672-07-6. |
| Q: What is the SMILES notation of 5-Chloro-2-mercaptobenzothiazole? |
| A: SMILES notation of 5-Chloro-2-mercaptobenzothiazole is S=c1[nH]c2cc(Cl)ccc2s1. |
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. |