O, O'-Dimethyl Dithiophosphate

CAT: 0127-OR1028481-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1028481-01Size:100 mg

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CAS Number

756-80-9

Synonyms

Dimethoxy-sulfanyl-sulfanylidene-lambda5-phosphane

Purity

95%

Smiles

COP(=S)(OC)S

Chemical Information

O,O-dimethyl phosphorodithioate

Dimethyldithiophosphate is an organic thiophosphate.

CAS Number	756-80-9
PubChem CID	12959
IUPAC Name	dimethoxy-sulfanyl-sulfanylidene-lambda5-phosphane
Molecular Formula	C2H7O2PS2
Molecular Weight	158.18
XLogP	1.7
Topological Polar Surface Area	51.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	7
Formal Charge	0
Complexity	85

SMILES

COP(=S)(OC)S

InChI

InChI=1S/C2H7O2PS2/c1-3-5(6,7)4-2/h1-2H3,(H,6,7)

InChIKey

CZGGKXNYNPJFAX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 756-80-9

CID: 12959

Formula: C2H7O2PS2

MW: 158.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	158.18
XLogP3	1.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	157.96250881
Monoisotopic Mass	157.96250881
Topological Polar Surface Area	51.6 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	85.7
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
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Catalog	Name
TRC-D465740-500MG	O,O-Dimethyl Dithiophosphate
sc-498464A	O, O-Dimethyl Dithiophosphate
TRC-D465742-500MG	O,O-Dimethyl Dithiophosphate (~90%)
sc-497686	O, O-Dimethyl Dithiophosphate-13C2
HY-W778154	O, O-Dimethyl dithiophosphate-13C2 (ammonium)
MBS6052262-01	O,O-Dimethyl Dithiophosphate Ammonium Salt
EDC61082-01	O, o-Dimethyl dithiophosphate-13C2 ammonium
010425	O, O-Dimethyl Dithiophosphate Ammonium Salt
TRC-D472743-50MG	O,O-Dimethyl-d6 Dithiophosphate Ammonium Salt
MBS6023325-01	O,O-Dimethyl Dithiophosphate-13C2 Ammonium Salt