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17452-76-5 | 1,3,4-Oxathiazol-2-one, 5,5'-(1,2-ethanediyl)bis-
CAS No: 17452-76-5 Catalog No: AG001ZQN MDL No:
Product Description
Catalog Number:
AG001ZQN
Chemical Name:
1,3,4-Oxathiazol-2-one, 5,5'-(1,2-ethanediyl)bis-
CAS Number:
17452-76-5
Molecular Formula:
C6H4N2O4S2
Molecular Weight:
232.2370
IUPAC Name:
5-[2-(2-oxo-1,3,4-oxathiazol-5-yl)ethyl]-1,3,4-oxathiazol-2-one
InChI:
InChI=1S/C6H4N2O4S2/c9-5-11-3(7-13-5)1-2-4-8-14-6(10)12-4/h1-2H2
InChI Key:
ZWDQVAYATKWHHM-UHFFFAOYSA-N
SMILES:
O=c1snc(o1)CCc1nsc(=O)o1
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.961g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.228g/mol
Monoisotopic Mass:
231.961g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
128A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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