Name: Name:2-{[2-(propane-1-sulfonyl)phenyl]sulfanyl}propanoic acid
Brand: Angene
SKU: AG01ABJ1
Rating: 90 (10 reviews)

2-{[2-(propane-1-sulfonyl)phenyl]sulfanyl}propanoic acid

CAS No.:

1155563-59-9

Catalog Number:

AG01ABJ1

Molecular Formula:

C12H16O4S2

Molecular Weight:

288.3830

Catalog Number:

AG01ABJ1

Chemical Name:

2-{[2-(propane-1-sulfonyl)phenyl]sulfanyl}propanoic acid

CAS Number:

1155563-59-9

Molecular Formula:

C12H16O4S2

Molecular Weight:

288.3830

MDL Number:

MFCD12070499

IUPAC Name:

2-(2-propylsulfonylphenyl)sulfanylpropanoic acid

InChI:

InChI=1S/C12H16O4S2/c1-3-8-18(15,16)11-7-5-4-6-10(11)17-9(2)12(13)14/h4-7,9H,3,8H2,1-2H3,(H,13,14)

InChI Key:

XZGAYAVXVPBEKX-UHFFFAOYSA-N

SMILES:

CCCS(=O)(=O)c1ccccc1SC(C(=O)O)C

Complexity:

372

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

288.049g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

288.376g/mol

Monoisotopic Mass:

288.049g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

105A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6