(8-Methyl-2,3-dihydro-4h-thiochromen-4-ylidene)propanedinitrile
Basic information
- CAS
31352-57-5- Standard SMILES
Cc1cccc2c1SCCC2=C(C#N)C#N- InChIKey
HGUOSZBUGKAIEN-UHFFFAOYSA-N- Molecular formula
- C13H10N2S
- Average molar mass
- 226.3 g/mol
- Monoisotopic mass
- 226.0564695
Names & identifiers
- Preferred name
- (8-Methyl-2,3-dihydro-4h-thiochromen-4-ylidene)propanedinitrile
- IUPAC
- 2-(8-methyl-2,3-dihydrothiochromen-4-ylidene)propanedinitrile
Names & synonyms
31352-57-5(8-methyl-2,3-dihydro-4h-thiochromen-4-ylidene)propanedinitrileNSC108756DTXSID80296308Propanedinitrile,2-(2,3-dihydro-8-methyl-4H-1-benzothiopyran-4-ylidene)-NSC-108756DS-000459(8-Methyl-2,3-dihydro-4H-1-benzothiopyran-4-ylidene)propanedinitrile
Database identifiers
- CAS
31352-57-5- PubChem CID
- 268503
- DTXSID
DTXSID80296308
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 388
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Related reactions
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Compound notes
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