Home Other Building Blocks 5-(propan-2-yl)-2H-1,3,4-oxathiazol-2-one

5-(propan-2-yl)-2H-1,3,4-oxathiazol-2-one

CAS No.:
116146-20-4
Catalog Number:
AG01A5SO
Molecular Formula:
C5H7NO2S
Molecular Weight:
145.1796
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Product Description
Catalog Number:
AG01A5SO
Chemical Name:
5-(propan-2-yl)-2H-1,3,4-oxathiazol-2-one
CAS Number:
116146-20-4
Molecular Formula:
C5H7NO2S
Molecular Weight:
145.1796
MDL Number:
MFCD26935954
IUPAC Name:
5-propan-2-yl-1,3,4-oxathiazol-2-one
InChI:
InChI=1S/C5H7NO2S/c1-3(2)4-6-9-5(7)8-4/h3H,1-2H3
InChI Key:
BAPYTKHEAGEYKI-UHFFFAOYSA-N
SMILES:
CC(c1nsc(=O)o1)C
Properties
Complexity:
164  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.02g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
145.176g/mol
Monoisotopic Mass:
145.02g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
64A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties