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88416-55-1 | Ethanethioamide, N-(4-hydroxyphenyl)-
CAS No: 88416-55-1 Catalog No: AG004EWT MDL No:
Product Description
Catalog Number:
AG004EWT
Chemical Name:
Ethanethioamide, N-(4-hydroxyphenyl)-
CAS Number:
88416-55-1
Molecular Formula:
C8H9NOS
Molecular Weight:
167.2282
IUPAC Name:
N-(4-hydroxyphenyl)ethanethioamide
InChI:
InChI=1S/C8H9NOS/c1-6(11)9-7-2-4-8(10)5-3-7/h2-5,10H,1H3,(H,9,11)
InChI Key:
XLPXILAXLUETOG-UHFFFAOYSA-N
SMILES:
CC(=S)Nc1ccc(cc1)O
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.04g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
167.226g/mol
Monoisotopic Mass:
167.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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