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167872-29-9 | 1,4-Oxathiin-3-carboxamide, 2-methyl-N-phenyl-
CAS No: 167872-29-9 Catalog No: AG001XOF MDL No:
Product Description
Catalog Number:
AG001XOF
Chemical Name:
1,4-Oxathiin-3-carboxamide, 2-methyl-N-phenyl-
CAS Number:
167872-29-9
Molecular Formula:
C12H11NO2S
Molecular Weight:
233.2862
IUPAC Name:
2-methyl-N-phenyl-1,4-oxathiine-3-carboxamide
InChI:
InChI=1S/C12H11NO2S/c1-9-11(16-8-7-15-9)12(14)13-10-5-3-2-4-6-10/h2-8H,1H3,(H,13,14)
InChI Key:
MAFOOLQOHVYNCG-UHFFFAOYSA-N
SMILES:
O=C(C1=C(C)OC=CS1)Nc1ccccc1
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.051g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.285g/mol
Monoisotopic Mass:
233.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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