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87388-74-7 | 1H-Pyrrole-3-carbonitrile, 4-(5-methyl-2-thienyl)-
CAS No: 87388-74-7 Catalog No: AG004JWE MDL No:
Product Description
Catalog Number:
AG004JWE
Chemical Name:
1H-Pyrrole-3-carbonitrile, 4-(5-methyl-2-thienyl)-
CAS Number:
87388-74-7
Molecular Formula:
C10H8N2S
Molecular Weight:
188.2489
IUPAC Name:
4-(5-methylthiophen-2-yl)-1H-pyrrole-3-carbonitrile
InChI:
InChI=1S/C10H8N2S/c1-7-2-3-10(13-7)9-6-12-5-8(9)4-11/h2-3,5-6,12H,1H3
InChI Key:
BJGACHXMDDIRFQ-UHFFFAOYSA-N
SMILES:
N#Cc1c[nH]cc1c1ccc(s1)C
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.041g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.248g/mol
Monoisotopic Mass:
188.041g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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