Name: Name:3-[3-(4-ethoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]propanoic acid
Brand: Angene
SKU: AG019OEP
Rating: 90 (10 reviews)

3-[3-(4-ethoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]propanoic acid

CAS No.:

847783-64-6

Catalog Number:

AG019OEP

Molecular Formula:

C13H15N3O3S

Molecular Weight:

293.3415

Catalog Number:

AG019OEP

Chemical Name:

3-[3-(4-ethoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]propanoic acid

CAS Number:

847783-64-6

Molecular Formula:

C13H15N3O3S

Molecular Weight:

293.3415

MDL Number:

MFCD07310904

IUPAC Name:

3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanoic acid

InChI:

InChI=1S/C13H15N3O3S/c1-2-19-10-5-3-9(4-6-10)12-14-15-13(20)16(12)8-7-11(17)18/h3-6H,2,7-8H2,1H3,(H,15,20)(H,17,18)

InChI Key:

HABCAMPKNDQYLX-UHFFFAOYSA-N

SMILES:

CCOc1ccc(cc1)c1nnc(n1CCC(=O)O)S

Complexity:

406

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

293.083g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

293.341g/mol

Monoisotopic Mass:

293.083g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

106A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5