Name: Name:2-[3-(4-methoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]acetic acid
Brand: Angene
SKU: AG019M6Y
Rating: 90 (10 reviews)

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

CAS No.:

885524-27-6

Catalog Number:

AG019M6Y

Molecular Formula:

C11H11N3O3S

Molecular Weight:

265.2883

Catalog Number:

AG019M6Y

Chemical Name:

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

CAS Number:

885524-27-6

Molecular Formula:

C11H11N3O3S

Molecular Weight:

265.2883

MDL Number:

MFCD06655872

IUPAC Name:

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

InChI:

InChI=1S/C11H11N3O3S/c1-17-8-4-2-7(3-5-8)10-12-13-11(18)14(10)6-9(15)16/h2-5H,6H2,1H3,(H,13,18)(H,15,16)

InChI Key:

INEVWCBYVHWMGW-UHFFFAOYSA-N

SMILES:

COc1ccc(cc1)c1nnc(n1CC(=O)O)S

Complexity:

378

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

265.052g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

265.287g/mol

Monoisotopic Mass:

265.052g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

106A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2