Basic information
- CAS
42137-24-6- Standard SMILES
N#Cc1cc([N+](=O)[O-])cs1- InChIKey
GXABDNAYUIKCPQ-UHFFFAOYSA-N- Molecular formula
- C5H2N2O2S
- Average molar mass
- 154.15 g/mol
- Monoisotopic mass
- 153.9836983
Names & identifiers
- Preferred name
- 4-Nitrothiophene-2-carbonitrile
- IUPAC
- 4-nitrothiophene-2-carbonitrile
Names & synonyms
4-nitrothiophene-2-carbonitrile42137-24-64-nitro-2-thiophenecarbonitrile4-nitro-2-cyanothiopheneMFCD034269072-cyano-4-nitrothiophene2-THIOPHENECARBONITRILE, 4-NITRO-2-Nitrothiophene-4-carbonytrile2-Nitro-4-cyanothiopheneSCHEMBL3183839SCHEMBL9220195GXABDNAYUIKCPQ-UHFFFAOYSA-
Show more names
GXABDNAYUIKCPQ-UHFFFAOYSA-NDTXSID201304314BUTTPARK 121\04-18SBB086994AKOS000282450BS-16822SY011958CS-0078644
Database identifiers
- CAS
42137-24-6- PubChem CID
- 819044
- DTXSID
DTXSID201304314- Nikkaji
- J270.014J
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 97.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 192
Related reactions
3 records
Compound notes
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