Name: Name:4-{[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]sulfanyl}benzoic acid
Brand: Angene
SKU: AG019KK7
Rating: 90 (10 reviews)

4-{[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]sulfanyl}benzoic acid

CAS No.:

929973-36-4

Catalog Number:

AG019KK7

Molecular Formula:

C11H10N2O3S

Molecular Weight:

250.2737

Catalog Number:

AG019KK7

Chemical Name:

4-{[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]sulfanyl}benzoic acid

CAS Number:

929973-36-4

Molecular Formula:

C11H10N2O3S

Molecular Weight:

250.2737

MDL Number:

MFCD09040563

IUPAC Name:

4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoic acid

InChI:

InChI=1S/C11H10N2O3S/c1-7-12-10(16-13-7)6-17-9-4-2-8(3-5-9)11(14)15/h2-5H,6H2,1H3,(H,14,15)

InChI Key:

SSBNRJMZYYGHKI-UHFFFAOYSA-N

SMILES:

OC(=O)c1ccc(cc1)SCc1onc(n1)C

Complexity:

269

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

250.041g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

250.272g/mol

Monoisotopic Mass:

250.041g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

102A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1