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189238-82-2 | 3H-1,2,3-Oxathiazolo[4,5-d]pyrimidine(9CI)
CAS No: 189238-82-2 Catalog No: AG002I3B MDL No:
Product Description
Catalog Number:
AG002I3B
Chemical Name:
3H-1,2,3-Oxathiazolo[4,5-d]pyrimidine(9CI)
CAS Number:
189238-82-2
Molecular Formula:
C4H3N3OS
Molecular Weight:
141.1511
IUPAC Name:
3H-oxathiazolo[4,5-d]pyrimidine
InChI:
InChI=1S/C4H3N3OS/c1-3-4(6-2-5-1)7-9-8-3/h1-2H,(H,5,6,7)
InChI Key:
VLKIFBGWEPIASI-UHFFFAOYSA-N
SMILES:
S1Oc2c(N1)ncnc2
Properties
Complexity:
112
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
141.148g/mol
Monoisotopic Mass:
141g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
72.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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