RefChem:869336

3-[[3-(2-ethylhexoxy)-3-oxopropyl]sulfanyl-phenylmethyl]sulfanylpropanoic acid

Also Known As: EINECS 268-495-8|2-ethylhexylhydrogen3,3'-[bis]dipropionate|2-ethylhexylhydrogen3,3'-[ bis ]dipropionate|1-(2-Ethylhexyl) 3-((((2-carboxyethyl)thio)phenylmethyl)thio)propionate|Bis(carboxyethane-2-thio)phenyl methylene, mono(2-ethylhexyl) ester|Propanoic acid, 3,3'-((phenylmethylene)bis(thio))bis-, mono(2-ethylhexyl) ester|Propanoic acid, 3-((((2-carboxyethyl)thio)phenylmethyl)thio)-, 1-(2-ethylhexyl) ester|Propanoic acid, 3-[[[(2-carboxyethyl)thio]phenylmethyl]thio]-, 1-(2-ethylhexyl) ester|propanoic acid, 3,3'-[(phenylmethylene)bis(thio)]bis-, 2-ethylhexyl ester|2-Ethylhexyl hydrogen 3,3'-((phenylmethylene)bis(thio))dipropionate|2-ethylhexyl hydrogen 3,3'-[(phenylmethylene)bis(thio)]dipropionate|1-(2-Ethylhexyl) 3-[[[(2-carboxyethyl)thio]phenylmethyl]thio]propionate|3-[alpha-[2-(2-Ethylhexyloxycarbonyl)ethylthio]benzylthio]propionic acid|3-{[({3-[(2-ETHYLHEXYL)OXY]-3-OXOPROPYL}SULFANYL)(PHENYL)METHYL]SULFANYL}PROPANOIC ACID|3-[[3-(2-ethylhexoxy)-3-oxopropyl]sulfanyl-phenylmethyl]sulfanylpropanoic acid|Propanoic acid, 3-[[[(2-carboxyethyl)thio]phenylmethyl]thio]-, mono(2-ethylhexyl) ester

Molecular Formula	C21H32O4S2
Molecular Weight	412.1742 g/mol
LogP	5.78
Topological Polar Surface Area	63.6 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	15
Exact Mass	412.1742
Heavy Atoms	27
Complexity	536.2

Chemical Identifiers

CAS Number	68109-84-2
SMILES	CCCCC(CC)COC(=O)CCSC(C1=CC=CC=C1)SCCC(=O)O