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177665-17-7 | Benzenebutanethioamide
CAS No: 177665-17-7 Catalog No: AG0025FX MDL No:MFCD09809278
Product Description
Catalog Number:
AG0025FX
Chemical Name:
Benzenebutanethioamide
CAS Number:
177665-17-7
Molecular Formula:
C10H13NS
Molecular Weight:
179.2819
MDL Number:
MFCD09809278
IUPAC Name:
4-phenylbutanethioamide
InChI:
InChI=1S/C10H13NS/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H2,11,12)
InChI Key:
QYISHIDCUIUQJO-UHFFFAOYSA-N
SMILES:
NC(=S)CCCc1ccccc1
Properties
Complexity:
139
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.077g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.281g/mol
Monoisotopic Mass:
179.077g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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