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17452-74-3 | 5-methyl-2H-1,3,4-oxathiazol-2-one
CAS No: 17452-74-3 Catalog No: AG01A46T MDL No:MFCD17015416
Product Description
Catalog Number:
AG01A46T
Chemical Name:
5-methyl-2H-1,3,4-oxathiazol-2-one
CAS Number:
17452-74-3
Molecular Formula:
C3H3NO2S
Molecular Weight:
117.1264
MDL Number:
MFCD17015416
IUPAC Name:
5-methyl-1,3,4-oxathiazol-2-one
InChI:
InChI=1S/C3H3NO2S/c1-2-4-7-3(5)6-2/h1H3
InChI Key:
KKGFUGWQXUYMEX-UHFFFAOYSA-N
SMILES:
Cc1nsc(=O)o1
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
116.988g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
117.122g/mol
Monoisotopic Mass:
116.988g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
64A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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