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102437-90-1 | 1,4-Oxathiin-2-acetamide, 5,6-dihydro-N-phenyl-
CAS No: 102437-90-1 Catalog No: AG0007I0 MDL No:
Product Description
Catalog Number:
AG0007I0
Chemical Name:
1,4-Oxathiin-2-acetamide, 5,6-dihydro-N-phenyl-
CAS Number:
102437-90-1
Molecular Formula:
C12H13NO2S
Molecular Weight:
235.3021
IUPAC Name:
2-(2,3-dihydro-1,4-oxathiin-6-yl)-N-phenylacetamide
InChI:
InChI=1S/C12H13NO2S/c14-12(8-11-9-16-7-6-15-11)13-10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H,13,14)
InChI Key:
LWHTWNZDEYSKOH-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccccc1)CC1=CSCCO1
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.067g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.301g/mol
Monoisotopic Mass:
235.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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