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81114-06-9 | 4-Pentenethioamide, N-phenyl-
CAS No: 81114-06-9 Catalog No: AG00561D MDL No:
Product Description
Catalog Number:
AG00561D
Chemical Name:
4-Pentenethioamide, N-phenyl-
CAS Number:
81114-06-9
Molecular Formula:
C11H13NS
Molecular Weight:
191.2926
IUPAC Name:
N-phenylpent-4-enethioamide
InChI:
InChI=1S/C11H13NS/c1-2-3-9-11(13)12-10-7-5-4-6-8-10/h2,4-8H,1,3,9H2,(H,12,13)
InChI Key:
BGYKITJJFWGIRT-UHFFFAOYSA-N
SMILES:
C=CCCC(=S)Nc1ccccc1
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.077g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.292g/mol
Monoisotopic Mass:
191.077g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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