4-Methylthiophenol
4-Methylthiophenol structure
|
Common Name | 4-Methylthiophenol | ||
|---|---|---|---|---|
| CAS Number | 108-40-7 | Molecular Weight | 124.203 | |
| Density | 1.0±0.1 g/cm3 | Boiling Point | 195.0±0.0 °C at 760 mmHg | |
| Molecular Formula | C7H8S | Melting Point | <-20ºC | |
| MSDS | Chinese USA | Flash Point | 68.3±0.0 °C | |
| Symbol |
GHS05, GHS07, GHS09 |
Signal Word | Danger | |
Summary: 3-Methylbenzenethiol, also known as 4-Methylthiophenol, with CAS number 108-40-7, has a molecular formula of C7H8S and a molecular weight of 124.203. It appears as a transparent, colorless to light yellow liquid with a melting point below -20°C and a boiling point around 195.0°C. 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-Methylbenzenethiol |
|---|---|
| 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 | 1.0±0.1 g/cm3 |
|---|---|
| Boiling Point | 195.0±0.0 °C at 760 mmHg |
| Melting Point | <-20ºC |
| Molecular Formula | C7H8S |
| Molecular Weight | 124.203 |
| Flash Point | 68.3±0.0 °C |
| Exact Mass | 124.034668 |
| PSA | 38.80000 |
| LogP | 2.98 |
| Vapour Pressure | 0.6±0.3 mmHg at 25°C |
| Index of Refraction | 1.578 |
| InChIKey | WRXOZRLZDJAYDR-UHFFFAOYSA-N |
| SMILES | Cc1cccc(S)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
|
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS05, GHS07, GHS09 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H315-H318-H335-H400 |
| Precautionary Statements | P261-P273-P280-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 | Xn:Harmful; |
| Risk Phrases | R20/21/22;R36/37/38 |
| Safety Phrases | S26-S39-S36/37/39 |
| RIDADR | UN2810 |
| WGK Germany | 3 |
| RTECS | XT8700000 |
| Packaging Group | III |
| Hazard Class | 6.1 |
| HS Code | 2930909090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 10 | |
|---|---|
| DownStream 10 | |
CAS#:591-17-3
CAS#:625-95-6
CAS#:109-72-8
CAS#:624-92-0
CAS#:591-20-8
CAS#:4886-77-5![1-methyl-3-[(3-methylphenyl)disulfanyl]benzene Structure](https://image.chemsrc.com/caspic/497/20333-41-9.png)
CAS#:20333-41-9
CAS#:1899-93-0
CAS#:140-89-6![(3S,3aR,4S,6aR,9S,9aR,9bR)-4-hydroxy-9-methyl-6-methylene-3-((m-tolylthio)methyl)octahydroazuleno[4,5-b]furan-2,8(3H,9bH)-dione Structure](https://image.chemsrc.com/caspic/003/248584-38-5.png)
CAS#:248584-38-5
CAS#:18453-16-2![Benzene,1,1'-[methylenebis(sulfonyl)]bis[3-methyl- (9CI) structure](https://image.chemsrc.com/caspic/041/2394-00-5.png)
CAS#:2394-00-5
CAS#:120-33-2
CAS#:16982-00-6
CAS#:34786-24-8
CAS#:3111-77-1
CAS#:34786-26-0
CAS#:14905-80-7This 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 collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| Benzenethiol,3-methyl |
| m-Tolylmercaptan |
| 3-THIOCRESOL |
| m-Toluenethiol |
| m-Thiocresol |
| toluenethiol |
| EINECS 203-578-4 |
| 3-Mercaptotoluene |
| m-Mercaptotoluene |
| m-Methylbenzenethiol |
| 4-Methylthiophenol |
| 3-methyl-thiophenol |
| 4-Methylbenzenethiol |
| m-Tolyl Mercaptan |
| MFCD00004843 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What are the downstream products of 3-Methylbenzenethiol? |
| A: Related downstream products(CAS) of 3-Methylbenzenethiol: 4886-77-5;18453-16-2;2394-00-5;1899-93-0;120-33-2;16982-00-6;34786-24-8;3111-77-1;34786-26-0;14905-80-7. |
| Q: What is the SMILES notation of 3-Methylbenzenethiol? |
| A: SMILES notation of 3-Methylbenzenethiol is Cc1cccc(S)c1. |
| Q: What is the molecular formula of 3-Methylbenzenethiol? |
| A: Molecular formula of 3-Methylbenzenethiol is C7H8S. |
| Q: What is the polar surface area (PSA) of 3-Methylbenzenethiol? |
| A: Polar surface area (PSA) of 3-Methylbenzenethiol is 38.80000. |
| Q: What is the English name of 3-Methylbenzenethiol? |
| A: The English name of 3-Methylbenzenethiol is 3-Methylbenzenethiol. |
| Q: What is the molecular weight of 3-Methylbenzenethiol? |
| A: Molecular weight of 3-Methylbenzenethiol is 124.203. |
| Q: What is the melting point of 3-Methylbenzenethiol? |
| A: Melting point of 3-Methylbenzenethiol is <-20ºC. |
| Q: What is the CAS number of 3-Methylbenzenethiol? |
| A: CAS number of 3-Methylbenzenethiol is 108-40-7. |
| Q: What are the upstream materials of 3-Methylbenzenethiol? |
| A: Related upstream materials(CAS) of 3-Methylbenzenethiol: 591-17-3;625-95-6;109-72-8;624-92-0;591-20-8;4886-77-5;20333-41-9;1899-93-0;140-89-6;248584-38-5. |
| Q: What is the LogP of 3-Methylbenzenethiol? |
| A: LogP of 3-Methylbenzenethiol is 2.98. |
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. |