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Thioperoxydiphosphoric acid ([(HO)2P(S)]2S2), OP,OP,OP',OP'-tetramethyl ester

HCID 80038
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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
5930-71-2
Standard SMILES
COP(=S)(OC)SSP(=S)(OC)OC
InChIKey
HUTQNWSTEVZUML-UHFFFAOYSA-N
Molecular formula
C4H12O4P2S4
Average molar mass
314.4 g/mol
Monoisotopic mass
313.90936755

Names & identifiers

Preferred name
Thioperoxydiphosphoric acid ([(HO)2P(S)]2S2), OP,OP,OP',OP'-tetramethyl ester
IUPAC
(dimethoxyphosphinothioyldisulfanyl)-dimethoxy-sulfanylidene-λ5-phosphane
English name
tetramethyl thioperoxydiphosphate
Molecular formula
C4H12O7P2S
Molecular weight
314.35

Names & synonyms

5930-71-2Bis(O,O-dimethylthiophosphoryl)disulfideEINECS 227-673-5BRN 1798158Thioperoxydiphosphoric acid ([(HO)2P(S)]2S2), tetramethyl esterThioperoxydiphosphoric acid, tetramethyl esterThioperoxydiphosphoric acid, O,O,O,O-tetramethyl-DTXSID8064064Thioperoxydiphosphoric acid (((HO)2P(S))2S2), tetramethyl esterMethyl thioperoxydiphosphate (((MeO)2PS)2S2)Thioperoxydiphosphoric acid (((HO)2P(S))2S2), Op,Op,Op',Op'-tetramethyl esterThioperoxydiphosphoric acid ([(HO)2P(S)]2S2), Op,Op,Op',Op'-tetramethyl ester
Show more names
Bis(dimethoxyphosphinothioyl) persulfideDithiobis(thiophosphonic acid O,O-dimethyl) ester
RefChem:189600DTXCID6042606Methyl thioperoxydiphosphate (((MeO)2PS)2S2) (7CI)4-01-00-01265 (Beilstein Handbook Reference)Tetramethyl thioperoxydiphosphateYLJ9P56FWMSCHEMBL11059829HUTQNWSTEVZUML-UHFFFAOYSA-N

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
152 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
8
Rotatable bonds
7
Heavy atoms
14
Formal charge
0
Complexity
218

Physicochemical properties

Melting point
51 · 51-52 °C(Solv: hexane (110-54-3))
Boiling point
332.4 · 332.4±25.0 °C(Predicted)
Density
1.482 · 1.482±0.06 g/cm3(Predicted)
EPA Substance Registry System
2 P · Thioperoxydiphosphoric acid ([(HO)2P(S)]2S2), tetramethyl ester (5930-71-2)
TSCA
TSCA listed

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

tsca
TSCA listed

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationThioperoxydiphosphoric acid ([(HO)2P(S)]2S2), OP,OP,OP',OP'-tetramethyl ester: INACTIVE

Related reactions

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes

Database identifiers

CAS
5930-71-2
PubChem CID
80038
DTXSID
DTXSID8064064
UNII
YLJ9P56FWM
EC Number
227-673-5
Nikkaji
J32.936C