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141305-44-4 | Thiazole, 3-oxide
CAS No: 141305-44-4 Catalog No: AG007ZGI MDL No:
Product Description
Catalog Number:
AG007ZGI
Chemical Name:
Thiazole, 3-oxide
CAS Number:
141305-44-4
Molecular Formula:
C3H3NOS
Molecular Weight:
101.1270
IUPAC Name:
3-oxido-1,3-thiazol-3-ium
InChI:
InChI=1S/C3H3NOS/c5-4-1-2-6-3-4/h1-3H
InChI Key:
GOAOVHAQURCJSU-UHFFFAOYSA-N
SMILES:
[O-][n+]1cscc1
Properties
Complexity:
50.1
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:
2
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:
53.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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