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Home > Imidazoles > 67545-21-5
67545-21-5 | 1,3,4-Thiadiazole, 2-(1H-imidazol-1-yl)-
CAS No: 67545-21-5 Catalog No: AG005MNG MDL No:
Product Description
Catalog Number:
AG005MNG
Chemical Name:
1,3,4-Thiadiazole, 2-(1H-imidazol-1-yl)-
CAS Number:
67545-21-5
Molecular Formula:
C5H4N4S
Molecular Weight:
152.1771
IUPAC Name:
2-imidazol-1-yl-1,3,4-thiadiazole
InChI:
InChI=1S/C5H4N4S/c1-2-9(3-6-1)5-8-7-4-10-5/h1-4H
InChI Key:
SAWAEBVJQUBWKX-UHFFFAOYSA-N
SMILES:
c1nnc(s1)n1cncc1
Properties
Complexity:
120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.016g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.175g/mol
Monoisotopic Mass:
152.016g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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