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88051-76-7 | 4-Oxazolidinone, 3-(dimethylamino)-5-methyl-5-(phenylmethyl)-2-thioxo-
CAS No: 88051-76-7 Catalog No: AG004II5 MDL No:
Product Description
Catalog Number:
AG004II5
Chemical Name:
4-Oxazolidinone, 3-(dimethylamino)-5-methyl-5-(phenylmethyl)-2-thioxo-
CAS Number:
88051-76-7
Molecular Formula:
C13H16N2O2S
Molecular Weight:
264.3433
IUPAC Name:
5-benzyl-3-(dimethylamino)-5-methyl-2-sulfanylidene-1,3-oxazolidin-4-one
InChI:
InChI=1S/C13H16N2O2S/c1-13(9-10-7-5-4-6-8-10)11(16)15(14(2)3)12(18)17-13/h4-8H,9H2,1-3H3
InChI Key:
RXESSADEBMEUMM-UHFFFAOYSA-N
SMILES:
CN(N1C(=S)OC(C1=O)(C)Cc1ccccc1)C
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.093g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.343g/mol
Monoisotopic Mass:
264.093g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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