3-Methyl-3-pentanethiol
Basic information
- CAS
1639-03-8- Standard SMILES
CCC(C)(S)CC- InChIKey
AJWVDGABWLKIGT-UHFFFAOYSA-N- Molecular formula
- C6H14S
- Average molar mass
- 118.24 g/mol
- Monoisotopic mass
- 118.08162162
Names & identifiers
- Preferred name
- 3-Methyl-3-pentanethiol
- IUPAC
- 3-methylpentane-3-thiol
- English name
- 3-methylpentane-3-thiol
- Molecular formula
- C6H14S
- Molecular weight
- 118.24
Names & synonyms
3-Methylpentane-3-thiol3-Methyl-3-pentanethiol1639-03-8C37FZ8G73YDTXSID70167674RefChem:1068231DTXCID1090165216-677-23-PENTANETHIOL, 3-METHYL-EINECS 216-677-23-methyl pentan-3-thiolSCHEMBL24267
Show more names
SCHEMBL24268SCHEMBL9021482SCHEMBL9021483SCHEMBL118668171-Ethyl-1-methylpropyl hydrosulfide #NS00025354
Database identifiers
- CAS
1639-03-8- PubChem CID
- 74226
- DTXSID
DTXSID70167674- UNII
- C37FZ8G73Y
- EC Number
- 216-677-2
- Nikkaji
- J99.936I
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 46.1
Physicochemical properties
- FDA UNII
- 37 FZ8G73Y · C37FZ8G73Y
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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