Name: Name:4-benzyl-5-(morpholin-4-yl)-4H-1,2,4-triazole-3-thiol
Brand: Angene
SKU: AG019OEH
Rating: 90 (10 reviews)

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

CAS No.:

847783-72-6

Catalog Number:

AG019OEH

Molecular Formula:

C13H16N4OS

Molecular Weight:

276.3573

Catalog Number:

AG019OEH

Chemical Name:

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

CAS Number:

847783-72-6

Molecular Formula:

C13H16N4OS

Molecular Weight:

276.3573

MDL Number:

MFCD07311126

IUPAC Name:

4-benzyl-3-morpholin-4-yl-1H-1,2,4-triazole-5-thione

InChI:

InChI=1S/C13H16N4OS/c19-13-15-14-12(16-6-8-18-9-7-16)17(13)10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,15,19)

InChI Key:

XELCUSOTELYBFB-UHFFFAOYSA-N

SMILES:

Sc1nnc(n1Cc1ccccc1)N1CCOCC1

Complexity:

362

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:

1.1