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100005-23-0 | 3-Thiophenecarbonitrile, 2-amino-4-(4-methoxyphenyl)-5-methyl-
CAS No: 100005-23-0 Catalog No: AG00009X MDL No:MFCD02609524
Product Description
Catalog Number:
AG00009X
Chemical Name:
3-Thiophenecarbonitrile, 2-amino-4-(4-methoxyphenyl)-5-methyl-
CAS Number:
100005-23-0
Molecular Formula:
C13H12N2OS
Molecular Weight:
244.3122
MDL Number:
MFCD02609524
IUPAC Name:
2-amino-4-(4-methoxyphenyl)-5-methylthiophene-3-carbonitrile
InChI:
InChI=1S/C13H12N2OS/c1-8-12(11(7-14)13(15)17-8)9-3-5-10(16-2)6-4-9/h3-6H,15H2,1-2H3
InChI Key:
DOBQZXVLOBZACE-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1c(C)sc(c1C#N)N
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.067g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.312g/mol
Monoisotopic Mass:
244.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
87.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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