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91114-97-5 | 5-acetyl-4-hydroxy-2H-1,3-Thiazine-2,6(3H)-dione
CAS No: 91114-97-5 Catalog No: AG00H4RE MDL No:
Product Description
Catalog Number:
AG00H4RE
Chemical Name:
5-acetyl-4-hydroxy-2H-1,3-Thiazine-2,6(3H)-dione
CAS Number:
91114-97-5
Molecular Formula:
C6H5NO4S
Molecular Weight:
187.1732
IUPAC Name:
5-acetyl-6-hydroxy-1,3-thiazine-2,4-dione
InChI:
InChI=1S/C6H5NO4S/c1-2(8)3-4(9)7-6(11)12-5(3)10/h10H,1H3,(H,7,9,11)
InChI Key:
QXSJHXWCIHEKPX-UHFFFAOYSA-N
SMILES:
CC(=O)c1c(O)[nH]c(=O)sc1=O
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.994g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
187.169g/mol
Monoisotopic Mass:
186.994g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
Literature
| Title | Journal |
|---|---|
| Characterization, molecular modeling and antimicrobial activity of metal complexes of tridentate Schiff base derived from 5-acetyl-4-hydroxy-2H-1,3-thiazine-2,6(3H)-dione and 2-aminophenol. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20120901 |
| Synthesis, molecular modeling, thermal and spectral studies of metal complexes of hydrazone derived from 5-acetyl-4-hydroxy-2H-1,3-thiazine-2,6(3H)-dione and thiosemicarbazide. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20110901 |
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