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14521-32-5 | Isothiazolo[3,4-d]pyrimidine(8CI,9CI)
CAS No: 14521-32-5 Catalog No: AG001KOK MDL No:
Product Description
Catalog Number:
AG001KOK
Chemical Name:
Isothiazolo[3,4-d]pyrimidine(8CI,9CI)
CAS Number:
14521-32-5
Molecular Formula:
C5H3N3S
Molecular Weight:
137.1624
IUPAC Name:
[1,2]thiazolo[3,4-d]pyrimidine
InChI:
InChI=1S/C5H3N3S/c1-4-2-9-8-5(4)7-3-6-1/h1-3H
InChI Key:
VFMVVXVPVYXTJB-UHFFFAOYSA-N
SMILES:
c1ncc2c(n1)nsc2
Properties
Complexity:
108
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.005g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
137.16g/mol
Monoisotopic Mass:
137.005g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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