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125866-62-8 | 3H-1,2,4-Triazole-3-thione, 4-amino-5-(3,4-dimethoxyphenyl)-2,4-dihydro-
CAS No: 125866-62-8 Catalog No: AG000OWQ MDL No:MFCD01166530
Product Description
Catalog Number:
AG000OWQ
Chemical Name:
3H-1,2,4-Triazole-3-thione, 4-amino-5-(3,4-dimethoxyphenyl)-2,4-dihydro-
CAS Number:
125866-62-8
Molecular Formula:
C10H12N4O2S
Molecular Weight:
252.2929
MDL Number:
MFCD01166530
IUPAC Name:
4-amino-3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C10H12N4O2S/c1-15-7-4-3-6(5-8(7)16-2)9-12-13-10(17)14(9)11/h3-5H,11H2,1-2H3,(H,13,17)
InChI Key:
UVDXESRWIPPBPS-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)c1n[nH]c(=S)n1N
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.068g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
252.292g/mol
Monoisotopic Mass:
252.068g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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