C1=C(SC(=C1)[N+](=O)[O-])C#N
CAS: 16689-02-4
Name: 5-nitrothiophene-2-carbonitrile
SMILES: C1=C(SC(=C1)[N+](=O)[O-])C#N

Molecular Processing

Molecular formula
C5H2N2O2S
Molecular weight
154.15
Exact mass
153.9837
XLogP
1.53
TPSA
66.93
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
10
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0
Molar refractivity
35.69

Supplementary Information

InChIKey: FLYONFCGDKAMIH-UHFFFAOYSA-N
Synonyme
5-Nitrothiophene-2-carbonitrile16689-02-4DTXSID10333957RefChem:103281DTXCID50285047623-748-5FLYONFCGDKAMIH-UHFFFAOYSA-N5-Nitro-2-thiophenecarbonitrile2-Thiophenecarbonitrile, 5-nitro-MFCD000524015-Nitrothiophene-2-carbonitirile5-nitro-thiophene-2-carbonitrile2-Cyano-5-nitrothiopheneMaybridge1_0059805-Nitro-2-cyanothiopheneSCHEMBL2223275-nitrothiophen-2-carbonitrileCHEMBL2323851SCHEMBL14149713HMS558H185-nitro-2-thiophene carbonitrile5-Nitro-2-thiophenecarbonitrile #CCG-1844SBB086993AKOS000280804DS-0834PB12056AC-26755RF 01682SY011987
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