Basic information
- CAS
64527-54-4- Standard SMILES
N#CC1=C(C#N)SCCCS1- InChIKey
GGMGBCSRAUSFMU-UHFFFAOYSA-N- Molecular formula
- C7H6N2S2
- Average molar mass
- 182.3 g/mol
- Monoisotopic mass
- 181.99724055
Names & identifiers
- Preferred name
- 6,7-Dihydro-5H-1,4-dithiepine-2,3-dicarbonitrile
- IUPAC
- 6,7-dihydro-5H-1,4-dithiepine-2,3-dicarbonitrile
Names & synonyms
6,7-Dihydro-5H-1,4-dithiepine-2,3-dicarbonitrile64527-54-4EM1LM0H8EBUNII-EM1LM0H8EBNSC 269613NSC-269613DTXSID302147995H-1,4-Dithiepin-2,3-dicarbonitrile, 6,7-dihydro-RefChem:103817DTXCID10137290NSC269613SCHEMBL11637276
Database identifiers
- CAS
64527-54-4- PubChem CID
- 320792
- DTXSID
DTXSID30214799- UNII
- EM1LM0H8EB
- Nikkaji
- J711.224F
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 98.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 247
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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