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88071-82-3 | 1H,5H-Thiazolo[3,4-b][1,2,4]triazole-5-thione
CAS No: 88071-82-3 Catalog No: AG004HUT MDL No:
Product Description
Catalog Number:
AG004HUT
Chemical Name:
1H,5H-Thiazolo[3,4-b][1,2,4]triazole-5-thione
CAS Number:
88071-82-3
Molecular Formula:
C4H3N3S2
Molecular Weight:
157.2167
IUPAC Name:
3H-[1,3]thiazolo[3,4-b][1,2,4]triazole-5-thione
InChI:
InChI=1S/C4H3N3S2/c8-4-7-3(1-9-4)5-2-6-7/h1-2H,(H,5,6)
InChI Key:
YDRBZTCXMXKPQD-UHFFFAOYSA-N
SMILES:
S=c1scc2n1nc[nH]2
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.977g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
157.209g/mol
Monoisotopic Mass:
156.977g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
85A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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