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290-61-9 | 1,2,5-Oxathiazine
CAS No: 290-61-9 Catalog No: AG00BV0L MDL No:
Product Description
Catalog Number:
AG00BV0L
Chemical Name:
1,2,5-Oxathiazine
CAS Number:
290-61-9
IUPAC Name:
1,2,5-oxathiazine
InChI:
InChI=1S/C3H3NOS/c1-2-6-5-3-4-1/h1-3H
InChI Key:
WTPCCFHCHCMJIT-UHFFFAOYSA-N
Properties
Complexity:
88.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
100.994g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
101.123g/mol
Monoisotopic Mass:
100.994g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
Literature
| Title | Journal |
|---|---|
| Molecular structure and dynamic properties of a sulfonamide derivative of glutathione that is produced under conditions of oxidative stress by hypochlorous acid. | Chemical research in toxicology 20080501 |
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