Name: Name:4-(2-phenylethyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazole-3-thiol
Brand: Angene
SKU: AG019HGJ
Rating: 90 (10 reviews)

4-(2-phenylethyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazole-3-thiol

CAS No.:

522624-40-4

Catalog Number:

AG019HGJ

Molecular Formula:

C15H15N3S2

Molecular Weight:

301.4297

Catalog Number:

AG019HGJ

Chemical Name:

4-(2-phenylethyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazole-3-thiol

CAS Number:

522624-40-4

Molecular Formula:

C15H15N3S2

Molecular Weight:

301.4297

MDL Number:

MFCD03651672

IUPAC Name:

4-(2-phenylethyl)-3-(thiophen-2-ylmethyl)-1H-1,2,4-triazole-5-thione

InChI:

InChI=1S/C15H15N3S2/c19-15-17-16-14(11-13-7-4-10-20-13)18(15)9-8-12-5-2-1-3-6-12/h1-7,10H,8-9,11H2,(H,17,19)

InChI Key:

HZINQVVGJTZKCS-UHFFFAOYSA-N

SMILES:

Sc1nnc(n1CCc1ccccc1)Cc1cccs1

Complexity:

377

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

301.071g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

301.426g/mol

Monoisotopic Mass:

301.071g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

88A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.2