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73351-82-3 | 6-(1H-1,2,3,4-tetrazol-5-yl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CAS No: 73351-82-3 Catalog No: AG01B2RX MDL No:MFCD19318308
Product Description
Catalog Number:
AG01B2RX
Chemical Name:
6-(1H-1,2,3,4-tetrazol-5-yl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CAS Number:
73351-82-3
Molecular Formula:
C7H4N6OS
Molecular Weight:
220.2113
MDL Number:
MFCD19318308
IUPAC Name:
6-(2H-tetrazol-5-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
InChI:
InChI=1S/C7H4N6OS/c14-6-4(5-9-11-12-10-5)3-8-7-13(6)1-2-15-7/h1-3H,(H,9,10,11,12)
InChI Key:
BQGCACIJTXLQNC-UHFFFAOYSA-N
SMILES:
O=c1c(cnc2n1ccs2)c1nnn[nH]1
Properties
Complexity:
402
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.017g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.21g/mol
Monoisotopic Mass:
220.017g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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