Basic information
- CAS
90927-69-8- Standard SMILES
CCC(C)c1ccccc1S- InChIKey
LYJBNJHMJBVLHD-UHFFFAOYSA-N- Molecular formula
- C10H14S
- Average molar mass
- 166.29 g/mol
- Monoisotopic mass
- 166.08162162
Names & identifiers
- Preferred name
- 2-Sec-butylbenzenethiol
- IUPAC
- 2-butan-2-ylbenzenethiol
- English name
- 2-butan-2-ylbenzenethiol
- Molecular formula
- C10H14S
- Molecular weight
- 166.28
Names & synonyms
2-sec-butylbenzenethiol90927-69-8NSC47205SCHEMBL944816SCHEMBL2096936DTXSID202867432-(Butan-2-yl)benzene-1-thiolLYJBNJHMJBVLHD-UHFFFAOYSA-NNSC-472052-butan-2-ylbenzenethiolBenzenethiol, 2-(1-methylpropyl)-
Database identifiers
- CAS
90927-69-8- PubChem CID
- 240704
- DTXSID
DTXSID20286743
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 111
Physicochemical properties
- Boiling point
- 231.2 · 231.2±19.0 °C(Predicted)
- Density
- 0.986 · 0.986±0.06 g/cm3(Predicted)
- pka
- 6.78 · 6.78±0.43(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
6 records
Compound notes
Loading…