1,2-Dithiolane, 4-methyl
Basic information
- CAS
5337-68-8- Standard SMILES
CC1CSSC1- InChIKey
DAOKINZLHVIYQX-UHFFFAOYSA-N- Molecular formula
- C4H8S2
- Average molar mass
- 120.2 g/mol
- Monoisotopic mass
- 120.0067426
Names & identifiers
- Preferred name
- 1,2-Dithiolane, 4-methyl
- IUPAC
- 4-methyldithiolane
Names & synonyms
1,2-Dithiolane, 4-methyl4-METHYL-1,2-DITHIOLANE5337-68-8NSC-817NSC817SPC6JQ49RC1,2-Dithiolane, 4-methyl-SCHEMBL1981828DTXSID60968011DAOKINZLHVIYQX-UHFFFAOYSA-N
Database identifiers
- CAS
5337-68-8- PubChem CID
- 219461
- DTXSID
DTXSID60968011- UNII
- SPC6JQ49RC
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 38.8
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Compound notes
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