AI 3-27326

dimethoxy-(4-nitro-3-propan-2-ylsulfanylphenoxy)-sulfanylidene-λ5-phosphane

Also Known As: Bayer 69047|BAY 69047|ENT 27,326|AI3-27326|AI 3-27326|Phosphorothioic acid, O-(3-(isopropylthio)-4-nitrophenyl) O,O-dimethyl ester|O,O-Dimethyl O-(3-((1-methylethyl)thio)-4-nitrophenyl) phosphorothioate|Phosphorothioic acid, O,O-dimethyl O-(3-((1-methylethyl)thio)-4-nitrophenyl) ester|dimethoxy-(4-nitro-3-propan-2-ylsulfanylphenoxy)-sulfanylidene-|Phosphorothioic acid, O,O-dimethyl O-[3-[(1-methylethyl)thio]-4-nitrophenyl] ester|O,O-Dimethyl O-{4-nitro-3-[(propan-2-yl)sulfanyl]phenyl} phosphorothioate|O,O-dimethyl O-4-nitro-3-(propan-2-ylsulfanyl)phenyl phosphorothioate|Thiophosphoric acid O,O-dimethyl O-[3-(isopropylthio)-4-nitrophenyl] ester|Thiophosphoric acid O-[3-(isopropylthio)-4-nitrophenyl]O,O-dimethyl ester|Phosphorothioic acid, O-[3-(isopropylthio)-4-nitrophenyl] O,O-dimethyl ester

Molecular Formula	C11H16NO5PS2
Molecular Weight	337.02075 g/mol
LogP	3.99
Topological Polar Surface Area	70.83 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	7
Rotatable Bonds	7
Exact Mass	337.02075
Heavy Atoms	20
Complexity	529.5

Chemical Identifiers

CAS Number	19645-42-2
SMILES	CC(C)SC1=C(C=CC(=C1)OP(=S)(OC)OC)[N+](=O)[O-]