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77022-66-3 | Ethanethioamide, 2-cyano-N-(4-methylphenyl)-
CAS No: 77022-66-3 Catalog No: AG005EQ6 MDL No:
Product Description
Catalog Number:
AG005EQ6
Chemical Name:
Ethanethioamide, 2-cyano-N-(4-methylphenyl)-
CAS Number:
77022-66-3
Molecular Formula:
C10H10N2S
Molecular Weight:
190.2648
IUPAC Name:
2-cyano-N-(4-methylphenyl)ethanethioamide
InChI:
InChI=1S/C10H10N2S/c1-8-2-4-9(5-3-8)12-10(13)6-7-11/h2-5H,6H2,1H3,(H,12,13)
InChI Key:
XWVTWBWEYRBHCZ-UHFFFAOYSA-N
SMILES:
N#CCC(=S)Nc1ccc(cc1)C
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.056g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
190.264g/mol
Monoisotopic Mass:
190.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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