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122012-96-8 | Butanamide, N,N-dimethyl-3-oxo-4-[(phenylmethyl)thio]-
CAS No: 122012-96-8 Catalog No: AG0016ML MDL No:
Product Description
Catalog Number:
AG0016ML
Chemical Name:
Butanamide, N,N-dimethyl-3-oxo-4-[(phenylmethyl)thio]-
CAS Number:
122012-96-8
Molecular Formula:
C13H17NO2S
Molecular Weight:
251.3446
IUPAC Name:
4-benzylsulfanyl-N,N-dimethyl-3-oxobutanamide
InChI:
InChI=1S/C13H17NO2S/c1-14(2)13(16)8-12(15)10-17-9-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3
InChI Key:
WOHZFSLHXSMKQC-UHFFFAOYSA-N
SMILES:
CN(C(=O)CC(=O)CSCc1ccccc1)C
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.098g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.344g/mol
Monoisotopic Mass:
251.098g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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