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14778-87-1 | 1,2,4-Triazolo[3,4-b][1,3,4]thiadiazole-3(2H)-thione, 6-methyl-
CAS No: 14778-87-1 Catalog No: AG001F7N MDL No:
Product Description
Catalog Number:
AG001F7N
Chemical Name:
1,2,4-Triazolo[3,4-b][1,3,4]thiadiazole-3(2H)-thione, 6-methyl-
CAS Number:
14778-87-1
Molecular Formula:
C4H4N4S2
Molecular Weight:
172.2314
IUPAC Name:
6-methyl-2H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-3-thione
InChI:
InChI=1S/C4H4N4S2/c1-2-7-8-3(9)5-6-4(8)10-2/h1H3,(H,5,9)
InChI Key:
PDASXRXJUZFOPX-UHFFFAOYSA-N
SMILES:
Cc1nn2c(s1)n[nH]c2=S
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.988g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
172.224g/mol
Monoisotopic Mass:
171.988g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
97.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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