106-45-6
Product Name:
p-Toluenethiol
Formula:
C7H8S
Synonyms:
4-Methylthiophenol;4-Mercaptotoluene;p-Tolyl mercaptan, p-Thiocresol;p-Thiocresol;p-Toluenethiol
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | White solid with an extremely offensive odor; [CHEMINFO] Crystalline solid with a stench; [Alfa Aesar MSDS] |
|---|---|
| Color/Form | Leaflets |
| Boiling Point | 195 °C @ 760 mm Hg |
| Melting Point | 43-44 °C |
| Flash Point | 68 °C |
| Solubility | Insol in water; sol in alcohol, ether |
| Vapor Pressure | 0.8 [mmHg] |
| Decomposition | When heated to decomposition it emits toxic fumes of /sulfur oxides/. |
| Odor Threshold | Odor detection in air= 1.0X10-4 mg/l (gas) chemically pure |
| Dissociation Constants | pKa= 6.82 @ 25 °C |
| Kovats Retention Index | 1082 |
| Other Experimental Properties | When heated to decomp it emits toxic fumes of SOx. |
| Chemical Classes | Other Classes -> Sulfur Compounds |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H319:Serious eye damage/eye irritation |
| Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P337+P313:IF eye irritation persists: Get medical advice/attention. |
COMPUTED DESCRIPTORS
| Molecular Weight | 124.21 g/mol |
|---|---|
| XLogP3 | 2.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 124.03467143 g/mol |
| Monoisotopic Mass | 124.03467143 g/mol |
| Topological Polar Surface Area | 1 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 62.8 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |