Hercules 13842

2-(2-bromo-1-dimethoxyphosphinothioylsulfanylethyl)isoindole-1,3-dione

Also Known As: Hercules 13842|Hercules-13842|ENT 27,268|AI3-27268|2-(2-bromo-1-dimethoxyphosphinothioylsulfanylethyl)isoindole-1,3-dione|2-[2-Bromo-1-[(dimethoxyphosphinothioyl)thio]ethyl]-2H-isoindole-1,3-dione|Phosphorodithioic acid, O,O-dimethyl ester, S-ester with N-(2-bromo-1- mercaptoethyl)phthalimide|Phosphorodithioic acid, S-(2-bromo-1-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)ethyl) O,O-dimethyl ester|O,O-dimethyl {[2-bromo-1-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)ethyl]sulfanyl}phosphonothioate|Phosphorodithioic acid, O,O-dimethyl ester, S-ester with N-(2-bromo-1-mercaptoethyl)phthalimide|Phosphorodithioic acid, S-[2-bromo-1-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)ethyl] O,O-dimethyl ester|Phosphorodithioic acid,S-(2-bromo-1-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)ethyl) O,O-dimethyl ester|S-[2-bromo-1-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl] O,O-dimethyl phosphorodithioate

Molecular Formula	C12H13BrNO4PS2
Molecular Weight	408.9207 g/mol
LogP	3.2
Topological Polar Surface Area	113.0 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	6
Rotatable Bonds	6
Exact Mass	408.9207
Monoisotopic Mass	408.9207
Heavy Atoms	21
Complexity	446.0

Chemical Identifiers

CAS Number	10312-19-3
SMILES	COP(=S)(OC)SC(CBr)N1C(=O)C2=CC=CC=C2C1=O
InChIKey	OBEHAXQUCIQWHH-UHFFFAOYSA-N