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16226-98-5 | 3H-1,2,4-Triazole-3-thione, 5-amino-2,4-dihydro-4-(4-methylphenyl)-
CAS No: 16226-98-5 Catalog No: AG001SY3 MDL No:MFCD00182696
Product Description
Catalog Number:
AG001SY3
Chemical Name:
3H-1,2,4-Triazole-3-thione, 5-amino-2,4-dihydro-4-(4-methylphenyl)-
CAS Number:
16226-98-5
Molecular Formula:
C9H10N4S
Molecular Weight:
206.2675
MDL Number:
MFCD00182696
IUPAC Name:
3-amino-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C9H10N4S/c1-6-2-4-7(5-3-6)13-8(10)11-12-9(13)14/h2-5H,1H3,(H2,10,11)(H,12,14)
InChI Key:
ULVKRZRBEMODHS-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)n1c(N)n[nH]c1=S
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.063g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
206.267g/mol
Monoisotopic Mass:
206.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
85.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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