Diethyl malathion

CAT: 0926-DAA70086-02Size: 5000 mgDry Ice: NoHazardous: No

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CAT#:0926-DAA70086-02Size:5000 mg

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CAS Number

3700-86-5

Smiles

CCOC (=O) CC (C (=O) OCC) SP (=S) (OCC) OCC

Molecular Formula

C12H23O6PS2

Molecular Weight

358.4 g/mol

Controlled

Chemical Information

1,4-Diethyl 2-((diethoxyphosphinothioyl)thio)butanedioate

CAS Number	3700-86-5
PubChem CID	225316
IUPAC Name	diethyl 2-diethoxyphosphinothioylsulfanylbutanedioate
Molecular Formula	C12H23O6PS2
Molecular Weight	358.4
XLogP	3.1
Topological Polar Surface Area	128
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	13
Heavy Atom Count	21
Formal Charge	0
Complexity	367

SMILES

CCOC(=O)CC(C(=O)OCC)SP(=S)(OCC)OCC

InChI

InChI=1S/C12H23O6PS2/c1-5-15-11(13)9-10(12(14)16-6-2)21-19(20,17-7-3)18-8-4/h10H,5-9H2,1-4H3

InChIKey

GUSZOKIDUUNRTB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3700-86-5

CID: 225316

Formula: C12H23O6PS2

MW: 358.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	358.4
XLogP3	3.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	13
Exact Mass	358.06736779
Monoisotopic Mass	358.06736779
Topological Polar Surface Area	128 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	367
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
FM24974-01	Malathion
BAA64251-01	Malathion β-monoacid
FCA73340-01	O-Methyl malathion β-monoacid
DAA70089	O, o-Dimethyl malathion
RDA48513-01	O-Methyl malathion α-monoacid
FD167646-01	Diethyl sulfone
FD10521-01	Diethyl ketomalonate
AAA62381-01	Diethyl sulfite
QAA30097-01	Diethyl acetoxyethylphosphonate
FD61056-01	Diethyl Chlorothiophosphate

Catalog	Name
TRC-D444543-100MG	Diethyl Malathion
454150	Malathion (Diethyl-d10)
M2129	Malathion ([ (Dimethoxyphosphinothioyl) thio]butanedioic Acid Diethyl Ester, )
MBS6037204-01	Malathion ([(Dimethoxyphosphinothioyl)thio]butanedioic Acid Diethyl Ester,)
M2129-01	Malathion-d6 ([ (Dimethoxy-d6-phosphinothioyl) thio]butanedioic Acid Diethyl Ester, Carbofos-d6, Malathon-d6, Mercaptothion-d6, Phosphothion-d6, Cythion-d6)
MBS6057092-01	Malathion-d6 ([(Dimethoxy-d6-phosphinothioyl)thio]butanedioic Acid Diethyl Ester, Carbofos-d6, Malathon-d6, Mercaptothion-d6, Phosphothion-d6, Cythion-d6)
RG-A260489-01	Malathion
sc-491086	Malathion α-monoacid
TRC-M111002-2.5MG	Malathion-d6
TMIJ-0456-01	Malathion-d7