Basic information
- Standard SMILES
OCc1ccccc1SCc1ccccc1- InChIKey
JSUMKLFZCNFVRS-UHFFFAOYSA-N- Molecular formula
- C14H14OS
- Average molar mass
- 230.33 g/mol
- Monoisotopic mass
- 230.07653624
Names & identifiers
- Preferred name
- [2-(Benzylsulfanyl)phenyl]methanol
- IUPAC
- (2-benzylsulfanylphenyl)methanol
Names & synonyms
[2-(benzylsulfanyl)phenyl]methanol4521-45-3(2-benzylsulfanylphenyl)methanolSCHEMBL1903485JSUMKLFZCNFVRS-UHFFFAOYSA-NEAA52145AKOS013125137CS-0232351EN300-126963G53400AA-516/30040030
Database identifiers
- PubChem CID
- 10977293
- Nikkaji
- J410.108A
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 45.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 189
Related reactions
10 records
Compound notes
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