5-Methyl-1,2-dithiol-3-one
Basic information
- CAS
3620-08-4- Standard SMILES
Cc1cc(=O)ss1- InChIKey
HKJJSYSMGYOWKY-UHFFFAOYSA-N- Molecular formula
- C4H4OS2
- Average molar mass
- 132.2 g/mol
- Monoisotopic mass
- 131.97035709
Names & identifiers
- Preferred name
- 5-Methyl-1,2-dithiol-3-one
- IUPAC
- 5-methyldithiol-3-one
- English name
- 5-Methyl-3H-1,2-dithiol-3-one
- Molecular weight
- 0
Names & synonyms
3620-08-45-Methyl-1,2-dithiol-3-oneDTXSID60878722RefChem:303888DTXCID3010167625-Methyl-3H-1,2-dithiol-3-one5-methyl-1,2-dithiolen-3-oneHKJJSYSMGYOWKY-UHFFFAOYSA-N3H-1,2-Dithiol-3-one, 5-methyl-5-Methyl-3H-1,2-dithiol-3-one #
Database identifiers
- CAS
3620-08-4- PubChem CID
- 583267
- DTXSID
DTXSID60878722- Nikkaji
- J132.874C
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 67.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 128
Experimental & physicochemical properties
LogP1.26
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Related reactions
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Compound notes
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