Name: Name:4-(5-sulfanyl-1,3,4-oxadiazol-2-yl)benzoic acid
Brand: Angene
SKU: AG019U3L
Rating: 90 (10 reviews)

4-(5-sulfanyl-1,3,4-oxadiazol-2-yl)benzoic acid

CAS No.:

1384429-10-0

Catalog Number:

AG019U3L

Molecular Formula:

C9H6N2O3S

Molecular Weight:

222.2205

Catalog Number:

AG019U3L

Chemical Name:

4-(5-sulfanyl-1,3,4-oxadiazol-2-yl)benzoic acid

CAS Number:

1384429-10-0

Molecular Formula:

C9H6N2O3S

Molecular Weight:

222.2205

MDL Number:

MFCD22196361

IUPAC Name:

4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)benzoic acid

InChI:

InChI=1S/C9H6N2O3S/c12-8(13)6-3-1-5(2-4-6)7-10-11-9(15)14-7/h1-4H,(H,11,15)(H,12,13)

InChI Key:

YVUSBBGIDJYPPH-UHFFFAOYSA-N

SMILES:

OC(=O)c1ccc(cc1)c1nnc(o1)S

Complexity:

321

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

222.01g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

222.218g/mol

Monoisotopic Mass:

222.01g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

103A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6