Name: Name:5-(4-methoxyphenyl)-4-(2-phenylethyl)-4H-1,2,4-triazole-3-thiol
Brand: Angene
SKU: AG019HGN
Rating: 90 (10 reviews)

5-(4-methoxyphenyl)-4-(2-phenylethyl)-4H-1,2,4-triazole-3-thiol

CAS No.:

221325-22-0

Catalog Number:

AG019HGN

Molecular Formula:

C17H17N3OS

Molecular Weight:

311.4014

Catalog Number:

AG019HGN

Chemical Name:

5-(4-methoxyphenyl)-4-(2-phenylethyl)-4H-1,2,4-triazole-3-thiol

CAS Number:

221325-22-0

Molecular Formula:

C17H17N3OS

Molecular Weight:

311.4014

MDL Number:

MFCD03651669

IUPAC Name:

3-(4-methoxyphenyl)-4-(2-phenylethyl)-1H-1,2,4-triazole-5-thione

InChI:

InChI=1S/C17H17N3OS/c1-21-15-9-7-14(8-10-15)16-18-19-17(22)20(16)12-11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,19,22)

InChI Key:

YZDOZPIHHXGNSF-UHFFFAOYSA-N

SMILES:

COc1ccc(cc1)c1nnc(n1CCc1ccccc1)S

Complexity:

412

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

311.109g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

311.403g/mol

Monoisotopic Mass:

311.109g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

69A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.6