Name: Name:4-(4-methylphenyl)-5-(piperidin-1-yl)-4H-1,2,4-triazole-3-thiol
Brand: Angene
SKU: AG019OGM
Rating: 90 (10 reviews)

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

CAS No.:

848369-54-0

Catalog Number:

AG019OGM

Molecular Formula:

C14H18N4S

Molecular Weight:

274.3845

Catalog Number:

AG019OGM

Chemical Name:

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

CAS Number:

848369-54-0

Molecular Formula:

C14H18N4S

Molecular Weight:

274.3845

MDL Number:

MFCD07323294

IUPAC Name:

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

InChI:

InChI=1S/C14H18N4S/c1-11-5-7-12(8-6-11)18-13(15-16-14(18)19)17-9-3-2-4-10-17/h5-8H,2-4,9-10H2,1H3,(H,16,19)

InChI Key:

KXDVXZRACHGDER-UHFFFAOYSA-N

SMILES:

Cc1ccc(cc1)n1c(S)nnc1N1CCCCC1

Complexity:

368

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

274.125g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

274.386g/mol

Monoisotopic Mass:

274.125g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

63A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8