Name: Name:4-(furan-2-ylmethyl)-5-(4-methylpiperidin-1-yl)-4H-1,2,4-triazole-3-thiol
Brand: Angene
SKU: AG019K8P
Rating: 90 (10 reviews)

4-(furan-2-ylmethyl)-5-(4-methylpiperidin-1-yl)-4H-1,2,4-triazole-3-thiol

CAS No.:

923748-98-5

Catalog Number:

AG019K8P

Molecular Formula:

C13H18N4OS

Molecular Weight:

278.3732

Catalog Number:

AG019K8P

Chemical Name:

4-(furan-2-ylmethyl)-5-(4-methylpiperidin-1-yl)-4H-1,2,4-triazole-3-thiol

CAS Number:

923748-98-5

Molecular Formula:

C13H18N4OS

Molecular Weight:

278.3732

MDL Number:

MFCD08691157

IUPAC Name:

4-(furan-2-ylmethyl)-3-(4-methylpiperidin-1-yl)-1H-1,2,4-triazole-5-thione

InChI:

InChI=1S/C13H18N4OS/c1-10-4-6-16(7-5-10)12-14-15-13(19)17(12)9-11-3-2-8-18-11/h2-3,8,10H,4-7,9H2,1H3,(H,15,19)

InChI Key:

GWSRIUVCUBNOLV-UHFFFAOYSA-N

SMILES:

CC1CCN(CC1)c1nnc(n1Cc1ccco1)S

Complexity:

379

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

278.12g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

278.374g/mol

Monoisotopic Mass:

278.12g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

76.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9