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861408-82-4 | 3-Thiophenecarbonitrile,2-amino-5-methyl-4-[4-(2-methylpropyl)phenyl]-
CAS No: 861408-82-4 Catalog No: AG004OSS MDL No:MFCD02854890
Product Description
Catalog Number:
AG004OSS
Chemical Name:
3-Thiophenecarbonitrile,2-amino-5-methyl-4-[4-(2-methylpropyl)phenyl]-
CAS Number:
861408-82-4
Molecular Formula:
C16H18N2S
Molecular Weight:
270.3925
MDL Number:
MFCD02854890
IUPAC Name:
2-amino-5-methyl-4-[4-(2-methylpropyl)phenyl]thiophene-3-carbonitrile
InChI:
InChI=1S/C16H18N2S/c1-10(2)8-12-4-6-13(7-5-12)15-11(3)19-16(18)14(15)9-17/h4-7,10H,8,18H2,1-3H3
InChI Key:
XYYGRLZKMGSDBJ-UHFFFAOYSA-N
SMILES:
N#Cc1c(N)sc(c1c1ccc(cc1)CC(C)C)C
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.119g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
270.394g/mol
Monoisotopic Mass:
270.119g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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