(1S,3S)-Isomalathion

HCID 178570

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Basic information

CAS: 141264-05-3
Standard SMILES: CCOC(=O)C[C@H](SP(=O)(OC)SC)C(=O)OCC
InChIKey: LPQDGVLVYVULMX-CLBCNEFWSA-N
Molecular formula: C10H19O6PS2
Average molar mass: 330.4 g/mol
Monoisotopic mass: 330.03606767

Names & identifiers

Preferred name: (1S,3S)-Isomalathion
IUPAC: diethyl (2S)-2-[methoxy(methylsulfanyl)phosphoryl]sulfanylbutanedioate

Names & synonyms

(1S,3S)-Isomalathion(-)-(1S,3S)-Isomalathion141264-05-3141280-06-0Butanedioic acid, (((S)-methoxy(methylthio)phosphinyl)thio)-, diethyl ester, (2S)-DTXSID301016231Butanedioic acid, 2-(((R)-methoxy(methylthio)phosphinyl)thio)-, 1,4-diethyl ester, (2S)-Diethyl (2S)-2-{[methoxy(methylsulfanyl)phosphoryl]sulfanyl}butanedioate(2S)-2-[[(R)-Methoxy(methylthio)phosphinyl]thio]butanedioic acid, 1,4-Diethyl ester(2S)-2-[[(S)-Methoxy(methylthio)phosphinyl]thio]butanedioic acid, 1,4-Diethyl ester

Database identifiers

CAS: 141264-05-3、141280-06-0
PubChem CID: 178570
DTXSID: DTXSID301016231
Nikkaji: J535.504D

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 130 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 8
Rotatable bonds: 11
Heavy atoms: 19
Formal charge: 0
Complexity: 349

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