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165266-20-6 | 2-Propenethioamide, 2-cyano-3-(2-methylphenyl)-
CAS No: 165266-20-6 Catalog No: AG001W1K MDL No:
Product Description
Catalog Number:
AG001W1K
Chemical Name:
2-Propenethioamide, 2-cyano-3-(2-methylphenyl)-
CAS Number:
165266-20-6
Molecular Formula:
C11H10N2S
Molecular Weight:
202.2755
IUPAC Name:
2-cyano-3-(2-methylphenyl)prop-2-enethioamide
InChI:
InChI=1S/C11H10N2S/c1-8-4-2-3-5-9(8)6-10(7-12)11(13)14/h2-6H,1H3,(H2,13,14)
InChI Key:
NHRUJGXZXTVUNX-UHFFFAOYSA-N
SMILES:
N#CC(=Cc1ccccc1C)C(=S)N
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.056g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
202.275g/mol
Monoisotopic Mass:
202.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.1
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