O, O'-Diethyl dithiophosphate

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CAT#:0926-FO76077-01Size:0.1 Kg

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CAS Number

298-06-6

MDL Number

MFCD00004825

Smiles

CCOP (=S) (OCC) S

Molecular Formula

C4H11O2PS2

Molecular Weight

186.23 g/mol

Controlled

Yes

Chemical Information

O,O-Diethyl dithiophosphate

Diethyl dithiophosphate is an organic thiophosphate.

CAS Number	298-06-6
PubChem CID	9274
IUPAC Name	diethoxy-sulfanyl-sulfanylidene-lambda5-phosphane
Molecular Formula	C4H11O2PS2
Molecular Weight	186.2
XLogP	2.4
Topological Polar Surface Area	51.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	9
Formal Charge	0
Complexity	107

SMILES

CCOP(=S)(OCC)S

InChI

InChI=1S/C4H11O2PS2/c1-3-5-7(8,9)6-4-2/h3-4H2,1-2H3,(H,8,9)

InChIKey

IRDLUHRVLVEUHA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 298-06-6

CID: 9274

Formula: C4H11O2PS2

MW: 186.2

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	186.2
XLogP3	2.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	185.99380893
Monoisotopic Mass	185.99380893
Topological Polar Surface Area	51.6 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	107
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
FT184110-01	O, O, S-Triethyl dithiophosphate
EDC61082-01	O, o-Dimethyl dithiophosphate-13C2 ammonium
FAA87117	O, O-Diethyl thiophosphate potassium salt
FDC16289-01	O, o-Diethyl thiophosphate-13C4 ammonium salt
UIA66256-01	S- (2- (Diisopropylamino) ethyl) O, O-diethyl phosphorothioate
PS00013-01	Stearyl-AGYLLGKLL (O) (O) LAAAAL (O) (O) LL-NH2
FB74449-01	6-O-Benzoylgomisin O
DAA70089	O, o-Dimethyl malathion
FD61056-01	Diethyl Chlorothiophosphate
FD21801-01	Diethyl phthalate

Catalog	Name
TRC-D444340-250MG	O,O-Diethyl Dithiophosphate
461390-01	O, O-Diethyl Dithiophosphate
sc-250605A	O, O'-Diethyl dithiophosphate
TRC-D465565-250MG	O,O-Diethyl Dithiophosphate (>80%)
TRC-D465562-25MG	O,O-Diethyl Dithiophosphate-d10
TRC-D444265-25MG	O,O-Diethyl Dithiophosphate Ammonium Salt
HY-W778148	O, O-Diethyl dithiophosphate-13C4 (ammonium)
272157-01	O, O-Diethyl dithiophosphate ammonium salt
AR-P31411-01	O, O-Diethyl S-methyl Dithiophosphate
56701-01	O, O-Diethyl Dithiophosphate extrapure, 85%