3H-1,2-Dithiole-3-thione, 4-methyl-
Basic information
- CAS
3354-41-4- Standard SMILES
Cc1cssc1=S- InChIKey
YHKZVQYBNUVXKY-UHFFFAOYSA-N- Molecular formula
- C4H4S3
- Average molar mass
- 148.3 g/mol
- Monoisotopic mass
- 147.94751365
Names & identifiers
- Preferred name
- 3H-1,2-Dithiole-3-thione, 4-methyl-
- IUPAC
- 4-methyldithiole-3-thione
- English name
- 4-Methyl-3H-1,2-dithiole-3-thione
- Molecular formula
- C4H4S3
- Molecular weight
- 148.27
Names & synonyms
3H-1,2-Dithiole-3-thione, 4-methyl-3354-41-4DTXSID30187196RefChem:95720DTXCID40109687YHKZVQYBNUVXKY-UHFFFAOYSA-N4-Methyl-3H-1,2-dithiole-3-thioneCHEMBL178491SCHEMBL12494694-Methyl-3H-1,2-dithiole-3-thione #4-Methyl-1,2-dithia-cyclopenten-3-thion4-methyl-1,2-dithia-4-cyclopentene-3-thione
Database identifiers
- CAS
3354-41-4- PubChem CID
- 137900
- DTXSID
DTXSID30187196- ChEMBL
CHEMBL178491- Nikkaji
- J132.879D
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 82.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 125
Experimental & physicochemical properties
SpringerMaterials PropertiesCrystal structure
LogP2.18
Physicochemical properties
- Melting point
- 40 °C · 40 °C
- Boiling point
- 90 · 90-92 °C(Press: 0.1 Torr)
- Density
- 1.44 · 1.44±0.1 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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