2,4-Thiophenedicarbonitrile, 3-amino-5-(propylthio)-
Basic information
- CAS
116171-02-9- Standard SMILES
CCCSc1sc(C#N)c(N)c1C#N- InChIKey
UUCPHGOEZXWWBO-UHFFFAOYSA-N- Molecular formula
- C9H9N3S2
- Average molar mass
- 223.3 g/mol
- Monoisotopic mass
- 223.02378965
Names & identifiers
- Preferred name
- 2,4-Thiophenedicarbonitrile, 3-amino-5-(propylthio)-
- IUPAC
- 3-amino-5-propylsulfanylthiophene-2,4-dicarbonitrile
Names & synonyms
116171-02-92,4-Thiophenedicarbonitrile, 3-amino-5-(propylthio)-SCHEMBL9865714DTXSID3012212663-Amino-5-(propylsulfanyl)thiophene-2,4-dicarbonitrile
Database identifiers
- CAS
116171-02-9- PubChem CID
- 54372384
- DTXSID
DTXSID301221266
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 287
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Compound notes
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