Basic information
- CAS
500351-75-7- Standard SMILES
Cc1cccc(C(C)C)c1S- InChIKey
YOJOYESIJDAHHW-UHFFFAOYSA-N- Molecular formula
- C10H14S
- Average molar mass
- 166.29 g/mol
- Monoisotopic mass
- 166.08162162
Names & identifiers
- Preferred name
- 2-Methyl-6-propan-2-ylbenzenethiol
- IUPAC
- 2-methyl-6-propan-2-ylbenzenethiol
- English name
- Benzenethiol, 2-methyl-6-(1-methylethyl)- (9CI)
- Molecular formula
- C10H14S
- Molecular weight
- 166.28
Names & synonyms
500351-75-72-methyl-6-propan-2-ylbenzenethiolNSC47206BENZENETHIOL, 2-METHYL-6-(1-METHYLETHYL)-SCHEMBL26049555DTXSID80286744NSC-472062-Methyl-6-(propan-2-yl)benzene-1-thiolDB-285522Benzenethiol, 2-methyl-6-(1-methylethyl)- (9CI)
Database identifiers
- CAS
500351-75-7- PubChem CID
- 240705
- DTXSID
DTXSID80286744
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 120
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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