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4651-82-5 | 2-Aminothiophene-3-carbonitrile
CAS No: 4651-82-5 Catalog No: AG00334I MDL No:MFCD00706298
Product Description
Catalog Number:
AG00334I
Chemical Name:
2-Aminothiophene-3-carbonitrile
CAS Number:
4651-82-5
Molecular Formula:
C5H4N2S
Molecular Weight:
124.1637
MDL Number:
MFCD00706298
IUPAC Name:
2-aminothiophene-3-carbonitrile
InChI:
InChI=1S/C5H4N2S/c6-3-4-1-2-8-5(4)7/h1-2H,7H2
InChI Key:
XVGHZFWFGXDIOU-UHFFFAOYSA-N
SMILES:
Nc1sccc1C#N
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.01g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
124.161g/mol
Monoisotopic Mass:
124.01g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
78A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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