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147442-47-5 | Thiazolo[3,2-c]-1,2,3-triazolo[4,5-e]pyrimidine(9CI)
CAS No: 147442-47-5 Catalog No: AG007XOG MDL No:
Product Description
Catalog Number:
AG007XOG
Chemical Name:
Thiazolo[3,2-c]-1,2,3-triazolo[4,5-e]pyrimidine(9CI)
CAS Number:
147442-47-5
Molecular Formula:
C6H3N5S
Molecular Weight:
177.1865
IUPAC Name:
12-thia-3,4,5,7,9-pentazatricyclo[7.3.0.02,6]dodeca-1,3,5,7,10-pentaene
InChI:
InChI=1S/C6H3N5S/c1-2-12-6-4-5(9-10-8-4)7-3-11(1)6/h1-3H
InChI Key:
AWIXUBDBIYWFQF-UHFFFAOYSA-N
SMILES:
n1nc2c(n1)c1sccn1cn2
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.011g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.185g/mol
Monoisotopic Mass:
177.011g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
81.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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