Name: Name:4-(3-methylphenyl)-5-phenyl-4H-1,2,4-triazole-3-thiol
Brand: Angene
SKU: AG019NVD
Rating: 90 (10 reviews)

4-(3-methylphenyl)-5-phenyl-4H-1,2,4-triazole-3-thiol

CAS No.:

78349-87-8

Catalog Number:

AG019NVD

Molecular Formula:

C15H13N3S

Molecular Weight:

267.3488

Catalog Number:

AG019NVD

Chemical Name:

4-(3-methylphenyl)-5-phenyl-4H-1,2,4-triazole-3-thiol

CAS Number:

78349-87-8

Molecular Formula:

C15H13N3S

Molecular Weight:

267.3488

MDL Number:

MFCD04087064

IUPAC Name:

4-(3-methylphenyl)-3-phenyl-1H-1,2,4-triazole-5-thione

InChI:

InChI=1S/C15H13N3S/c1-11-6-5-9-13(10-11)18-14(16-17-15(18)19)12-7-3-2-4-8-12/h2-10H,1H3,(H,17,19)

InChI Key:

QZKCJUSXELDLGP-UHFFFAOYSA-N

SMILES:

Cc1cccc(c1)n1c(S)nnc1c1ccccc1

Complexity:

374

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

267.083g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

267.35g/mol

Monoisotopic Mass:

267.083g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

59.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.6