Name: Name:3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(2-methoxyphenyl)-4-(4-methylphenyl)-
Brand: Angene
SKU: AG002MS7
Rating: 90 (10 reviews)

3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(2-methoxyphenyl)-4-(4-methylphenyl)-

CAS No.:

23292-16-2

Catalog Number:

AG002MS7

Molecular Formula:

C16H15N3OS

Molecular Weight:

297.3748

Catalog Number:

AG002MS7

Chemical Name:

3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(2-methoxyphenyl)-4-(4-methylphenyl)-

CAS Number:

23292-16-2

Molecular Formula:

C16H15N3OS

Molecular Weight:

297.3748

MDL Number:

MFCD02228497

IUPAC Name:

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

InChI:

InChI=1S/C16H15N3OS/c1-11-7-9-12(10-8-11)19-15(17-18-16(19)21)13-5-3-4-6-14(13)20-2/h3-10H,1-2H3,(H,18,21)

InChI Key:

MYMIOSWHDQLVHY-UHFFFAOYSA-N

SMILES:

COc1ccccc1c1n[nH]c(=S)n1c1ccc(cc1)C

Complexity:

418

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

297.094g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

297.376g/mol

Monoisotopic Mass:

297.094g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

69A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.5