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29277-45-0 | Ethanethioamide, N-(4-cyanophenyl)-
CAS No: 29277-45-0 Catalog No: AG002XXC MDL No:
Product Description
Catalog Number:
AG002XXC
Chemical Name:
Ethanethioamide, N-(4-cyanophenyl)-
CAS Number:
29277-45-0
Molecular Formula:
C9H8N2S
Molecular Weight:
176.2382
IUPAC Name:
N-(4-cyanophenyl)ethanethioamide
InChI:
InChI=1S/C9H8N2S/c1-7(12)11-9-4-2-8(6-10)3-5-9/h2-5H,1H3,(H,11,12)
InChI Key:
GBEONDAUADZIFZ-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)NC(=S)C
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.041g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
176.237g/mol
Monoisotopic Mass:
176.041g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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