Phosphorotetrathioic acid, S,S-dimethyl S-(prop-2-ynyl) ester
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Basic information
- CAS
17118-79-5- Standard SMILES
C#CCSP(=S)(SC)SC- InChIKey
IYIGEFYDEYKIBE-UHFFFAOYSA-N- Molecular formula
- C5H9PS4
- Average molar mass
- 228.4 g/mol
- Monoisotopic mass
- 227.93247198
Names & identifiers
- Preferred name
- Phosphorotetrathioic acid, S,S-dimethyl S-(prop-2-ynyl) ester
- IUPAC
- bis(methylsulfanyl)-prop-2-ynylsulfanyl-sulfanylidene-λ5-phosphane
- English name
- Dimethyl(2-propynyl) =phosphorotetrathioate
- Molecular formula
- C5H9PS4
- Molecular weight
- 228.36
Names & synonyms
17118-79-5BRN 1858654Phosphorotetrathioic acid, S,S-dimethyl S-(prop-2-ynyl) esterS,S-Dimethyl S-(prop-2-ynyl) phosphorotetrathioateDTXSID20169022RefChem:371227DTXCID5091513dimethyl prop-2-yn-1-yl phosphorotetrathioatebis(methylsulfanyl)-prop-2-ynylsulfanyl-sulfanylidene-lambda5-phosphaneDimethyl(2-propynyl) =phosphorotetrathioatePhosphorotetrathioic acid, dimethyl 2-propyn-1-yl ester
Database identifiers
- CAS
17118-79-5- PubChem CID
- 86956
- DTXSID
DTXSID20169022- Nikkaji
- J50.450E
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 171
Physicochemical properties
- Boiling point
- 308 · 308.0±44.0 °C(Predicted)
- Density
- 1.353 · 1.353±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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