Basic information
- CAS
79196-29-5- Standard SMILES
CCCCCCCCCCCCCCCCCc1csc(=S)s1- InChIKey
JLYAOFBZLYGGHN-UHFFFAOYSA-N- Molecular formula
- C20H36S3
- Average molar mass
- 372.7 g/mol
- Monoisotopic mass
- 372.19791467
Names & identifiers
- Preferred name
- 4-Heptadecyl-1,3-dithiole-2-thione
- IUPAC
- 4-heptadecyl-1,3-dithiole-2-thione
Names & synonyms
4-heptadecyl-1,3-dithiole-2-thione79196-29-5DTXSID20394559AKOS0243505584-heptadecyl-1,3-dithiolene-2-thione4-Heptadecyl-2H-1,3-dithiole-2-thioneST50974943
Database identifiers
- CAS
79196-29-5- PubChem CID
- 3640652
- DTXSID
DTXSID20394559
Properties
Computed structural properties
- XLogP
- 10.7
- Topological polar surface area
- 82.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 16
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 323
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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