Name: Name:3-{3-[(methylsulfanyl)methyl]-1,2,4-oxadiazol-5-yl}propanoic acid
Brand: Angene
SKU: AG01A1OZ
Rating: 90 (10 reviews)

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

CAS No.:

1248059-06-4

Catalog Number:

AG01A1OZ

Molecular Formula:

C7H10N2O3S

Molecular Weight:

202.2309

Catalog Number:

AG01A1OZ

Chemical Name:

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

CAS Number:

1248059-06-4

Molecular Formula:

C7H10N2O3S

Molecular Weight:

202.2309

MDL Number:

MFCD16849897

IUPAC Name:

3-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propanoic acid

InChI:

InChI=1S/C7H10N2O3S/c1-13-4-5-8-6(12-9-5)2-3-7(10)11/h2-4H2,1H3,(H,10,11)

InChI Key:

IUNZNIJMQDFHAA-UHFFFAOYSA-N

SMILES:

CSCc1noc(n1)CCC(=O)O

Complexity:

179

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

202.041g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

202.228g/mol

Monoisotopic Mass:

202.041g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

102A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.4