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1215669-56-9 | S-METHYL-D3-THIOACETAMINOPHEN
CAS No: 1215669-56-9 Catalog No: AG0015A3 MDL No:
Product Description
Catalog Number:
AG0015A3
Chemical Name:
S-METHYL-D3-THIOACETAMINOPHEN
CAS Number:
1215669-56-9
Molecular Formula:
C9H8D3NO2S
Molecular Weight:
200.2726
IUPAC Name:
N-[4-hydroxy-3-(trideuteriomethylsulfanyl)phenyl]acetamide
InChI:
InChI=1S/C9H11NO2S/c1-6(11)10-7-3-4-8(12)9(5-7)13-2/h3-5,12H,1-2H3,(H,10,11)/i2D3
InChI Key:
KNDKLDWGYWQCCJ-BMSJAHLVSA-N
SMILES:
CC(=O)Nc1ccc(c(c1)SC([2H])([2H])[2H])O
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.07g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
3
Molecular Weight:
200.27g/mol
Monoisotopic Mass:
200.07g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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