Basic information
- CAS
18818-33-2- Standard SMILES
CC12CSP(=S)(SC1)SC2- InChIKey
FQCUMXAELXKPQO-UHFFFAOYSA-N- Molecular formula
- C5H9PS4
- Average molar mass
- 228.4 g/mol
- Monoisotopic mass
- 227.93247198
Names & identifiers
- Preferred name
- 1,3-Propanedithiol, 2-(mercaptomethyl)-2-methyl-, cyclic phosphorotetrathioate (1:1)
- IUPAC
- 4-methyl-1-sulfanylidene-2,6,7-trithia-1λ5-phosphabicyclo[2.2.2]octane
- English name
- 4-Methyl-2,6,7-trithia-1-phosphabicyclo[2.2.2]octane1-sulfide
- Molecular weight
- 0
Names & synonyms
18818-33-21,3-Propanedithiol, 2-(mercaptomethyl)-2-methyl-, cyclic phosphorotetrathioate (1:1)DTXSID30172163RefChem:1053107DTXCID5094654BRN 22533322,6,7-Trithia-1-phosphabicyclo(2.2.2)octane, 4-methyl-, 1-sulfidePhosphorotetrathioic acid, cyclic ester with 2-(mercaptomethyl)-2-methyl-1,3-propanedithiol4-methyl-1-sulfanylidene-2,6,7-trithia-1lambda5-phosphabicyclo[2.2.2]octane4-Methyl-2,6,7-trithia-1-phospha-bicyclo[2.2.2]octane 1-sulfide4-Methyl-2,6,7-trithia-1lambda~5~-phosphabicyclo[2.2.2]octane-1-thione4-Methyl-2,6,7-trithia-1-phosphabicyclo[2.2.2]octane1-sulfide
Database identifiers
- CAS
18818-33-2- PubChem CID
- 87807
- DTXSID
DTXSID30172163- Nikkaji
- J48.617E
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 171
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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