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109758-06-7 | 2(3H)-Thiazolone,4-phenyl-3-[3-(2H-tetrazol-5-yl)propyl]-
CAS No: 109758-06-7 Catalog No: AG0081WA MDL No:
Product Description
Catalog Number:
AG0081WA
Chemical Name:
2(3H)-Thiazolone,4-phenyl-3-[3-(2H-tetrazol-5-yl)propyl]-
CAS Number:
109758-06-7
Molecular Formula:
C13H13N5OS
Molecular Weight:
287.3402
IUPAC Name:
4-phenyl-3-[3-(2H-tetrazol-5-yl)propyl]-1,3-thiazol-2-one
InChI:
InChI=1S/C13H13N5OS/c19-13-18(8-4-7-12-14-16-17-15-12)11(9-20-13)10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2,(H,14,15,16,17)
InChI Key:
YQADMCOXKMFZNJ-UHFFFAOYSA-N
SMILES:
O=c1scc(n1CCCc1nnn[nH]1)c1ccccc1
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.084g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
287.341g/mol
Monoisotopic Mass:
287.084g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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