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1076198-94-1 | O-Benzyl-S-methyl-3-thioacetaminophen
CAS No: 1076198-94-1 Catalog No: AG007VVT MDL No:
Product Description
Catalog Number:
AG007VVT
Chemical Name:
O-Benzyl-S-methyl-3-thioacetaminophen
CAS Number:
1076198-94-1
Molecular Formula:
C16H17NO2S
Molecular Weight:
287.3767
IUPAC Name:
N-(3-methylsulfanyl-4-phenylmethoxyphenyl)acetamide
InChI:
InChI=1S/C16H17NO2S/c1-12(18)17-14-8-9-15(16(10-14)20-2)19-11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,17,18)
InChI Key:
UXXSZZVZHGEQNZ-UHFFFAOYSA-N
SMILES:
CSc1cc(ccc1OCc1ccccc1)NC(=O)C
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.098g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
287.377g/mol
Monoisotopic Mass:
287.098g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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