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116311-97-8 | 1,2,3,4-Thiatriazole, 5-(4-thiazolyl)-
CAS No: 116311-97-8 Catalog No: AG000C62 MDL No:
Product Description
Catalog Number:
AG000C62
Chemical Name:
1,2,3,4-Thiatriazole, 5-(4-thiazolyl)-
CAS Number:
116311-97-8
Molecular Formula:
C4H2N4S2
Molecular Weight:
170.2155
IUPAC Name:
5-(1,3-thiazol-4-yl)thiatriazole
InChI:
InChI=1S/C4H2N4S2/c1-3(5-2-9-1)4-6-7-8-10-4/h1-2H
InChI Key:
UTIOMKJPKMTOFH-UHFFFAOYSA-N
SMILES:
c1scc(n1)c1nnns1
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.972g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.208g/mol
Monoisotopic Mass:
169.972g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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