Name: Name:4-(2,4-dimethylphenyl)-5-(pyridin-2-yl)-4H-1,2,4-triazole-3-thiol
Brand: Angene
SKU: AG019VXT
Rating: 90 (10 reviews)

4-(2,4-dimethylphenyl)-5-(pyridin-2-yl)-4H-1,2,4-triazole-3-thiol

CAS No.:

1096940-68-9

Catalog Number:

AG019VXT

Molecular Formula:

C15H14N4S

Molecular Weight:

282.3635

Catalog Number:

AG019VXT

Chemical Name:

4-(2,4-dimethylphenyl)-5-(pyridin-2-yl)-4H-1,2,4-triazole-3-thiol

CAS Number:

1096940-68-9

Molecular Formula:

C15H14N4S

Molecular Weight:

282.3635

MDL Number:

MFCD12165891

IUPAC Name:

4-(2,4-dimethylphenyl)-3-pyridin-2-yl-1H-1,2,4-triazole-5-thione

InChI:

InChI=1S/C15H14N4S/c1-10-6-7-13(11(2)9-10)19-14(17-18-15(19)20)12-5-3-4-8-16-12/h3-9H,1-2H3,(H,18,20)

InChI Key:

KLMIZCJFWTYATK-UHFFFAOYSA-N

SMILES:

Cc1ccc(c(c1)C)n1c(S)nnc1c1ccccn1

Complexity:

409

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

282.094g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

282.365g/mol

Monoisotopic Mass:

282.094g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

72.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.2