100-68-5
Product Name:
Thioanisole
Formula:
C7H8S
Synonyms:
Methyl phenyl sulfide;Thioanisole
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Colorless liquid with a stench; [Alfa Aesar MSDS] |
|---|---|
| Boiling Point | 188.00 to 193.00 °C. @ 760.00 mm Hg |
| Melting Point | -15 °C |
| Solubility | 0.506 mg/mL at 25 °C |
| Density | 0.958-0.968 |
| LogP | 2.74 |
| Refractive Index | 1.532-1.551 |
| Kovats Retention Index | 1061 1071.1 1068 |
| Chemical Classes | Other Classes -> Sulfur Compounds |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07  Environment GHS09 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H315:Skin corrosion/irritation H317:Sensitisation, Skin H411:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P302+P352:IF ON SKIN: wash with plenty of soap and water. |
COMPUTED DESCRIPTORS
| Molecular Weight | 124.21 g/mol |
|---|---|
| XLogP3 | 2.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 124.03467143 g/mol |
| Monoisotopic Mass | 124.03467143 g/mol |
| Topological Polar Surface Area | 25.3 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 55.4 |
| 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 |
PRODUCT INTRODUCTION
description
Thioanisole is an aryl sulfide that is thiophenol in which the hydrogen of the thiol group has been replaced by a methyl group. It is an aryl sulfide and a member of benzenes. It is functionally related to a thiophenol.