Name: Name:4-benzyl-5-(2-methylfuran-3-yl)-4H-1,2,4-triazole-3-thiol
Brand: Angene
SKU: AG019J17
Rating: 90 (10 reviews)

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

CAS No.:

438236-94-3

Catalog Number:

AG019J17

Molecular Formula:

C14H13N3OS

Molecular Weight:

271.3375

Catalog Number:

AG019J17

Chemical Name:

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

CAS Number:

438236-94-3

Molecular Formula:

C14H13N3OS

Molecular Weight:

271.3375

MDL Number:

MFCD03468143

IUPAC Name:

4-benzyl-3-(2-methylfuran-3-yl)-1H-1,2,4-triazole-5-thione

InChI:

InChI=1S/C14H13N3OS/c1-10-12(7-8-18-10)13-15-16-14(19)17(13)9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,16,19)

InChI Key:

WSHHJBDDFSNICD-UHFFFAOYSA-N

SMILES:

Sc1nnc(n1Cc1ccccc1)c1ccoc1C

Complexity:

379

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

271.078g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

271.338g/mol

Monoisotopic Mass:

271.078g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

72.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6