2-(3-Thienylmethylene)propanedinitrile
Basic information
- CAS
101756-40-5- Standard SMILES
N#CC(C#N)=Cc1ccsc1- InChIKey
ZKWANBRFSVNZTG-UHFFFAOYSA-N- Molecular formula
- C8H4N2S
- Average molar mass
- 160.2 g/mol
- Monoisotopic mass
- 160.00951931
Names & identifiers
- Preferred name
- 2-(3-Thienylmethylene)propanedinitrile
- IUPAC
- 2-(thiophen-3-ylmethylidene)propanedinitrile
Names & synonyms
101756-40-5MALONONITRILE, (3-THENYLIDENE)-2-(3-Thienylmethylene)propanedinitrileDTXSID60144171RefChem:1061118DTXCID0066662(2-Thenylidene)malononitrile2-(thiophen-3-ylmethylidene)propanedinitrile(3-Thienyl)methylidenemalononitrile2-[(thiophen-3-yl)methylidene]propanedinitrile(thiophen-3-ylmethylidene)propanedinitrileBRN 3602806
Show more names
NSC172839Propanedinitrile, 2-(3-thienylmethylene)-SCHEMBL3369089ZKWANBRFSVNZTG-UHFFFAOYSA-NHMS1667J14CCG-42056STL1345522-thiophen-3-ylmethylene-malononitrile
Database identifiers
- CAS
101756-40-5- PubChem CID
- 58859
- DTXSID
DTXSID60144171- Nikkaji
- J147.660B
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 75.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 244
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Related reactions
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Compound notes
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