Name: Name:3H-1,2,4-Triazole-3-thione,2,4-dihydro-4-phenyl-5-(1-piperidinyl)-
Brand: Angene
SKU: AG019M7V
Rating: 90 (10 reviews)

3H-1,2,4-Triazole-3-thione,2,4-dihydro-4-phenyl-5-(1-piperidinyl)-

CAS No.:

92110-77-5

Catalog Number:

AG019M7V

Molecular Formula:

C13H16N4S

Molecular Weight:

260.3579

Catalog Number:

AG019M7V

Chemical Name:

3H-1,2,4-Triazole-3-thione,2,4-dihydro-4-phenyl-5-(1-piperidinyl)-

CAS Number:

92110-77-5

Molecular Formula:

C13H16N4S

Molecular Weight:

260.3579

MDL Number:

MFCD07310992

IUPAC Name:

4-phenyl-3-piperidin-1-yl-1H-1,2,4-triazole-5-thione

InChI:

InChI=1S/C13H16N4S/c18-13-15-14-12(16-9-5-2-6-10-16)17(13)11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2,(H,15,18)

InChI Key:

NUVXHZXJFZHQJG-UHFFFAOYSA-N

SMILES:

Sc1nnc(n1c1ccccc1)N1CCCCC1

Complexity:

343

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

260.11g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

260.359g/mol

Monoisotopic Mass:

260.11g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

63A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4