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83504-93-2 | BENZENEETHANETHIOAMIDE, 2-HYDROXY-N,N,5-TRIMETHYL-
CAS No: 83504-93-2 Catalog No: AG004V2K MDL No:
Product Description
Catalog Number:
AG004V2K
Chemical Name:
BENZENEETHANETHIOAMIDE, 2-HYDROXY-N,N,5-TRIMETHYL-
CAS Number:
83504-93-2
Molecular Formula:
C11H15NOS
Molecular Weight:
209.3079
IUPAC Name:
2-(2-hydroxy-5-methylphenyl)-N,N-dimethylethanethioamide
InChI:
InChI=1S/C11H15NOS/c1-8-4-5-10(13)9(6-8)7-11(14)12(2)3/h4-6,13H,7H2,1-3H3
InChI Key:
OBEVSPNBASJDGR-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)CC(=S)N(C)C)O
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.087g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
209.307g/mol
Monoisotopic Mass:
209.087g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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