3-(Methylmercapto)aniline
3-(Methylmercapto)aniline structure
|
Common Name | 3-(Methylmercapto)aniline | ||
|---|---|---|---|---|
| CAS Number | 1783-81-9 | Molecular Weight | 139.218 | |
| Density | 1.1±0.1 g/cm3 | Boiling Point | 292.6±0.0 °C at 760 mmHg | |
| Molecular Formula | C7H9NS | Melting Point | N/A | |
| MSDS | Chinese USA | Flash Point | 113.9±22.6 °C | |
| Symbol |
GHS07 |
Signal Word | Warning | |
Summary: 3-aminobenzene sulfide (3-methylsulfanylaniline), Chinese name: 3-氨基茴香硫醚, CAS number: 1783-81-9, molecular formula: C7H9NS, molecular weight: 139.218. It is a transparent dark brown liquid with a boiling point of 292.6±0.0 °C and a density of 1.1±0.1 g/cm3. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 3-methylsulfanylaniline |
|---|---|
| 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 | 1.1±0.1 g/cm3 |
|---|---|
| Boiling Point | 292.6±0.0 °C at 760 mmHg |
| Molecular Formula | C7H9NS |
| Molecular Weight | 139.218 |
| Flash Point | 113.9±22.6 °C |
| Exact Mass | 139.045563 |
| PSA | 51.32000 |
| LogP | 1.45 |
| Vapour Pressure | 0.0±0.6 mmHg at 25°C |
| Index of Refraction | 1.612 |
| InChIKey | KCHLDNLIJVSRPK-UHFFFAOYSA-N |
| SMILES | CSc1cccc(N)c1 |
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
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This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H315-H319-H335 |
| Precautionary Statements | P261-P305 + P351 + P338 |
| Personal Protective Equipment | Eyeshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| Hazard Codes | Xi:Irritant; |
| Risk Phrases | R36/37/38 |
| Safety Phrases | S26-S37/39 |
| RIDADR | UN 2810 6.1/PG 3 |
| WGK Germany | 3 |
| RTECS | BY6301000 |
| Hazard Class | 6.1 |
| HS Code | 2930909090 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 8 | |
|---|---|
| DownStream 10 | |
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CAS#:33872-54-7This 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 lists relevant public references with title, journal and publication metadata for this compound.
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Selective COX-2 inhibitors. Part 1: synthesis and biological evaluation of phenylazobenzenesulfonamides.
Bioorg. Med. Chem. Lett. 16 , 4440-3, (2006) A series of phenylazobenzenesulfonamide derivatives were designed and synthesized for the evaluation as selective cyclooxygenase-2 (COX-2) inhibitors in a cellular assay using human whole blood (HWB) ... |
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Microbial Flavoprotein Monooxygenases as Mimics of Mammalian Flavin-Containing Monooxygenases for the Enantioselective Preparation of Drug Metabolites.
Drug Metab. Dispos. 44 , 1270-6, (2016) Mammalian flavin-containing monooxygenases, which are difficult to obtain and study, play a major role in detoxifying various xenobiotics. To provide alternative biocatalytic tools to generate flavin-... |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| m-Aminophenyl methyl sulfide |
| EINECS 217-232-5 |
| 3-(Methylsulfanyl)aniline |
| 3-(Methylmercapto)aniline |
| 3-methylthiophenylamine |
| m-Aminothioanisole |
| 3-Methylthiobenzenamine |
| 3-Aminothioanisole |
| 3-Methylmercaptoaniline |
| 3-(Methylthio)aniline |
| MFCD00007793 |
| m-thioanisidine |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What English synonyms does 3-methylsulfanylaniline have? |
| A: English synonyms of 3-methylsulfanylaniline: m-Aminophenyl methyl sulfide, EINECS 217-232-5, 3-(Methylsulfanyl)aniline, 3-(Methylmercapto)aniline, 3-methylthiophenylamine, m-Aminothioanisole, 3-Methylthiobenzenamine, 3-Aminothioanisole, 3-Methylmercaptoaniline, 3-(Methylthio)aniline, MFCD00007793, m-thioanisidine. |
| Q: What is the boiling point of 3-methylsulfanylaniline? |
| A: Boiling point of 3-methylsulfanylaniline is 292.6±0.0 °C at 760 mmHg. |
| Q: What is the English name of 3-methylsulfanylaniline? |
| A: The English name of 3-methylsulfanylaniline is 3-methylsulfanylaniline. |
| Q: What is the SMILES notation of 3-methylsulfanylaniline? |
| A: SMILES notation of 3-methylsulfanylaniline is CSc1cccc(N)c1. |
| Q: What is the molecular formula of 3-methylsulfanylaniline? |
| A: Molecular formula of 3-methylsulfanylaniline is C7H9NS. |
| Q: What is the polar surface area (PSA) of 3-methylsulfanylaniline? |
| A: Polar surface area (PSA) of 3-methylsulfanylaniline is 51.32000. |
| Q: What is the molecular weight of 3-methylsulfanylaniline? |
| A: Molecular weight of 3-methylsulfanylaniline is 139.218. |
| Q: What is the LogP of 3-methylsulfanylaniline? |
| A: LogP of 3-methylsulfanylaniline is 1.45. |
| Q: What is the CAS number of 3-methylsulfanylaniline? |
| A: CAS number of 3-methylsulfanylaniline is 1783-81-9. |
| Q: What is the InChIKey of 3-methylsulfanylaniline? |
| A: InChIKey of 3-methylsulfanylaniline is KCHLDNLIJVSRPK-UHFFFAOYSA-N. |
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. |
| Henan Tianfu Chemical Co., Ltd. |
| Zhongshan Xingrui Chemical Co. , Ltd. |
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- Shanghai Nianxing Industrial Co., Ltd
- China
- Product Name: 3-(Methylmercapto)aniline
- Price: Check
- Purity: 98.0%
- Delivery: 10 Day
- Contact: Yang
- Email: sales@echemcloud.com
- Dayang Chem (Hangzhou) Co., Ltd.
- China
- Product Name: 3-Aminothioanisole
- Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
- Purity: 98.0%
- Delivery: Inquiry
- Contact: Ms Wang
- Email: enquiry@dycnchem.com
- Henan Tianfu Chemical Co., Ltd.
- China
- Product Name: 3-Aminothioanisole
- Price: $Inquiry/1kg $Inquiry/25kg $Inquiry/1000kg $Inquiry/10ton
- Purity: 99.0%
- Delivery: Inquiry
- Contact: Anson
- Email: info@tianfuchem.com
- Zhongshan Xingrui Chemical Co. , Ltd.
- China
- Product Name: 3-(Methylmercapto)aniline
- Price: ￥Inquiry/25kg
- Purity: 99.0%
- Delivery: Inquiry
- Contact: Wang Jie
- Email: 3096638339@qq.com
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