CC1=C(SC(=C1C#N)N)C
CAS: 4651-94-9
Name: 2-amino-4,5-dimethylthiophene-3-carbonitrile
SMILES: CC1=C(SC(=C1C#N)N)C

Molecular Processing

Molecular formula
C7H8N2S
Molecular weight
152.22
Exact mass
152.0408
XLogP
1.82
TPSA
49.81
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
10
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
42.92

Supplementary Information

InChIKey: DTDMOFLHHZZNFB-UHFFFAOYSA-N
Synonyme
4651-94-92-Amino-4,5-dimethyl-thiophene-3-carbonitrile2-amino-4,5-dimethyl-3-thiophenecarbonitrile2-Amino-3-cyano-4,5-dimethylthiopheneJ996EJ9NYY3-thiophenecarbonitrile, 2-amino-4,5-dimethyl-NSC-153327EC 610-309-8NSC 1533272,3-DIMETHYL-4-CYANO-5-AMINOTHIOPHENERefChem:464005610-309-82-amino-4,5-dimethylthiophene-3-carbonitrile2-amino-4,5-dimethylthiophen-3-carbonitrilMFCD007201892-Amino-4,5-dimethyl-3-thiophenecarbonitrile; 2-Amino-3-cyano-4,5-dimethylthiophene; NSC 153327NSC153327UNII-J996EJ9NYYMLS000388798SCHEMBL641581CHEMBL1609344DTXSID20302750DTDMOFLHHZZNFB-UHFFFAOYSA-NHMS2570B06ALBB-001575SBB015602STK048949AKOS000103850BS-3843CS-W004532
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