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93846-72-1 | 1,1-DIOXO-3-PHENYL-1,3-THIAZINANE-2,4-DIONE
CAS No: 93846-72-1 Catalog No: AG00H92P MDL No:
Product Description
Catalog Number:
AG00H92P
Chemical Name:
1,1-DIOXO-3-PHENYL-1,3-THIAZINANE-2,4-DIONE
CAS Number:
93846-72-1
Molecular Formula:
C10H9NO4S
Molecular Weight:
239.2478
IUPAC Name:
1,1-dioxo-3-phenyl-1,3-thiazinane-2,4-dione
InChI:
InChI=1S/C10H9NO4S/c12-9-6-7-16(14,15)10(13)11(9)8-4-2-1-3-5-8/h1-5H,6-7H2
InChI Key:
RCQVTEZQQDYHIQ-UHFFFAOYSA-N
SMILES:
O=C1CCS(=O)(=O)C(=O)N1c1ccccc1
NSC Number:
319071
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.025g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.245g/mol
Monoisotopic Mass:
239.025g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
79.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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