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660416-51-3 | 4-METHYL-5-(1,3-THIAZOL-4-YL)-4H-1,2,4-TRIAZOLE-3-THIOL
CAS No: 660416-51-3 Catalog No: AG01DQWP MDL No:MFCD24195564
Product Description
Catalog Number:
AG01DQWP
Chemical Name:
4-METHYL-5-(1,3-THIAZOL-4-YL)-4H-1,2,4-TRIAZOLE-3-THIOL
CAS Number:
660416-51-3
Molecular Formula:
C6H6N4S2
Molecular Weight:
198.2686
MDL Number:
MFCD24195564
IUPAC Name:
4-methyl-3-(1,3-thiazol-4-yl)-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C6H6N4S2/c1-10-5(8-9-6(10)11)4-2-12-3-7-4/h2-3H,1H3,(H,9,11)
InChI Key:
KEXYMWVSYRMMTJ-UHFFFAOYSA-N
SMILES:
Cn1c(S)nnc1c1cscn1
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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