Basic information
- CAS
60965-60-8- Standard SMILES
Cc1ccc(S)o1- InChIKey
VFXYLFXZARNARN-UHFFFAOYSA-N- Molecular formula
- C5H6OS
- Average molar mass
- 114.17 g/mol
- Monoisotopic mass
- 114.01393581
Names & identifiers
- Preferred name
- 2-Furanthiol, 5-methyl-
- IUPAC
- 5-methylfuran-2-thiol
Names & synonyms
2-Furanthiol, 5-methyl-60965-60-8DTXSID70209806RefChem:261345DTXCID801322975-methylfuran-2-thiol2-Furanthiol,5-methyl-2-methylfuran-5-thiol5-methyl-2-furanthiolSCHEMBL4761226VFXYLFXZARNARN-UHFFFAOYSA-N
Database identifiers
- CAS
60965-60-8- PubChem CID
- 143754
- DTXSID
DTXSID70209806
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 14.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 65.1
Related reactions
2 records
Compound notes
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