Basic information
- CAS
17178-01-7- Standard SMILES
Cc1cc(Cl)ccc1S- InChIKey
YIUPEFSJLWXHJR-UHFFFAOYSA-N- Molecular formula
- C7H7ClS
- Average molar mass
- 158.65 g/mol
- Monoisotopic mass
- 157.9956991
Names & identifiers
- Preferred name
- 4-Chloro-2-methylthiophenol
- IUPAC
- 4-chloro-2-methylbenzenethiol
- English name
- 4-Chloro-2-methylbenzenethiol
- Molecular formula
- C7H7ClS
- Molecular weight
- 158.65
Names & synonyms
4-Chloro-2-methylthiophenol17178-01-74-Chloro-2-methylbenzenethiol4-chloro-2-methylbenzene-1-thiol4-chloro-2-methyl-benzenethiolMFCD00041469Benzenethiol,4-chloro-3-methyl-4-Chloro-o-toluenethiol2-methyl-4-chlorothiophenolSCHEMBL696635SCHEMBL4068262SCHEMBL31514000
Show more names
Benzenethiol, 4-chloro-2-methyl-
4-Chloro-2-methylbenzenethiol #DTXSID50938041AKOS006345012FS-4956CS-0280607ST51042118EN300-673719G32266
Database identifiers
- CAS
17178-01-7- PubChem CID
- 519366
- DTXSID
DTXSID50938041- Nikkaji
- J307.698I
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 94.9
Physicochemical properties
- Boiling point
- 117 °C · 117 °C(Press: 21 Torr)
- Density
- 1.217 · 1.217±0.06 g/cm3(Predicted)
- pka
- 6.32 · 6.32±0.48(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H315-H319-H332-H335
- Precautionary statements
- 233 · P233-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P363
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H312-H315-H319-H332-H335
- Precautionary statements
- P233-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P363
Chemistry & industry
Suppliers1 total
南京世洲生物科技有限公司13675144456 · [email protected]
Related reactions
2 records
Compound notes
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