Name: Name:4-(2-methylphenyl)-5-(morpholin-4-yl)-4H-1,2,4-triazole-3-thiol
Brand: Angene
SKU: AG019M31
Rating: 90 (10 reviews)

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

CAS No.:

847744-14-3

Catalog Number:

AG019M31

Molecular Formula:

C13H16N4OS

Molecular Weight:

276.3573

Catalog Number:

AG019M31

Chemical Name:

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

CAS Number:

847744-14-3

Molecular Formula:

C13H16N4OS

Molecular Weight:

276.3573

MDL Number:

MFCD07324808

IUPAC Name:

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

InChI:

InChI=1S/C13H16N4OS/c1-10-4-2-3-5-11(10)17-12(14-15-13(17)19)16-6-8-18-9-7-16/h2-5H,6-9H2,1H3,(H,15,19)

InChI Key:

CPSZLCMUSDOFCV-UHFFFAOYSA-N

SMILES:

Cc1ccccc1n1c(S)nnc1N1CCOCC1

Complexity:

381

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

276.104g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

276.358g/mol

Monoisotopic Mass:

276.104g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

72.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5