2,4-Diethylbenzenethiol
Basic information
- CAS
672290-93-6- Standard SMILES
CCc1ccc(S)c(CC)c1- InChIKey
HSSCWQMHHMQPRM-UHFFFAOYSA-N- Molecular formula
- C10H14S
- Average molar mass
- 166.29 g/mol
- Monoisotopic mass
- 166.08162162
Names & identifiers
- Preferred name
- 2,4-Diethylbenzenethiol
- IUPAC
- 2,4-diethylbenzenethiol
Names & synonyms
Benzenethiol, 2,4-diethyl-672290-93-62,4-diethylbenzenethiol2,4-Diethylbenzene-1-thiolSCHEMBL6652316SCHEMBL29810618DTXSID80591103
Database identifiers
- CAS
672290-93-6- PubChem CID
- 17818971
- DTXSID
DTXSID80591103
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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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