2-(Thiophen-2-ylmethyl)propanedinitrile
Basic information
- CAS
5553-91-3- Standard SMILES
N#CC(C#N)Cc1cccs1- InChIKey
WUMYBKBHTJXKPV-UHFFFAOYSA-N- Molecular formula
- C8H6N2S
- Average molar mass
- 162.21 g/mol
- Monoisotopic mass
- 162.02516937
Names & identifiers
- Preferred name
- 2-(Thiophen-2-ylmethyl)propanedinitrile
- IUPAC
- 2-(thiophen-2-ylmethyl)propanedinitrile
Names & synonyms
NSC5063975553-91-3DTXSID80325420NSC-506397[(Thiophen-2-yl)methyl]propanedinitrile
Database identifiers
- CAS
5553-91-3- PubChem CID
- 350065
- DTXSID
DTXSID80325420- Nikkaji
- J3.314.557H
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 75.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 203
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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