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1516996-76-1 | 4-methyl-5-(1,3-thiazol-5-yl)-4H-1,2,4-triazole-3-thiol
CAS No: 1516996-76-1 Catalog No: AG01BTIL MDL No:MFCD24848614
Product Description
Catalog Number:
AG01BTIL
Chemical Name:
4-methyl-5-(1,3-thiazol-5-yl)-4H-1,2,4-triazole-3-thiol
CAS Number:
1516996-76-1
Molecular Formula:
C6H6N4S2
Molecular Weight:
198.2686
MDL Number:
MFCD24848614
IUPAC Name:
4-methyl-3-(1,3-thiazol-5-yl)-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C6H6N4S2/c1-10-5(8-9-6(10)11)4-2-7-3-12-4/h2-3H,1H3,(H,9,11)
InChI Key:
SWMNNVJVRXJEGS-UHFFFAOYSA-N
SMILES:
Cn1c(nnc1S)c1cncs1
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.003g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.262g/mol
Monoisotopic Mass:
198.003g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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