Name: Name:2-[3-sulfanyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-4-yl]acetic acid
Brand: Angene
SKU: AG019M6W
Rating: 90 (10 reviews)

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

CAS No.:

660417-26-5

Catalog Number:

AG019M6W

Molecular Formula:

C8H7N3O2S2

Molecular Weight:

241.2901

Catalog Number:

AG019M6W

Chemical Name:

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

CAS Number:

660417-26-5

Molecular Formula:

C8H7N3O2S2

Molecular Weight:

241.2901

MDL Number:

MFCD07312773

IUPAC Name:

2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetic acid

InChI:

InChI=1S/C8H7N3O2S2/c12-6(13)4-11-7(9-10-8(11)14)5-2-1-3-15-5/h1-3H,4H2,(H,10,14)(H,12,13)

InChI Key:

KWDQNZLKKJZMEF-UHFFFAOYSA-N

SMILES:

OC(=O)Cn1c(S)nnc1c1cccs1

Complexity:

332

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

240.998g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

241.283g/mol

Monoisotopic Mass:

240.998g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

125A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2