3-Methyl-2,6-di(propan-2-yl)benzenethiol
Basic information
- CAS
93138-43-3- Standard SMILES
Cc1ccc(C(C)C)c(S)c1C(C)C- InChIKey
CWEJQKQWZFZSQY-UHFFFAOYSA-N- Molecular formula
- C13H20S
- Average molar mass
- 208.36 g/mol
- Monoisotopic mass
- 208.12857181
Names & identifiers
- Preferred name
- 3-Methyl-2,6-di(propan-2-yl)benzenethiol
- IUPAC
- 3-methyl-2,6-di(propan-2-yl)benzenethiol
Names & synonyms
93138-43-33-methyl-2,6-di(propan-2-yl)benzenethiolNSC47208DTXSID40286745NSC-472083-Methyl-2,6-di(propan-2-yl)benzene-1-thiol
Database identifiers
- CAS
93138-43-3- PubChem CID
- 240706
- DTXSID
DTXSID40286745
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 174
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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