Phosphorotrithioic acid, S,S-dimethyl S-(prop-2-ynyl) ester
Basic information
- CAS
17118-78-4- Standard SMILES
C#CCSP(=O)(SC)SC- InChIKey
ZLJAMTLREAVFKX-UHFFFAOYSA-N- Molecular formula
- C5H9OPS3
- Average molar mass
- 212.3 g/mol
- Monoisotopic mass
- 211.95531542
Names & identifiers
- Preferred name
- Phosphorotrithioic acid, S,S-dimethyl S-(prop-2-ynyl) ester
- IUPAC
- 3-bis(methylsulfanyl)phosphorylsulfanylprop-1-yne
Names & synonyms
BRN 1858653Phosphorotrithioic acid, S,S-dimethyl S-(prop-2-ynyl) esterS,S-Dimethyl S-(prop-2-ynyl) phosphorotrithioate17118-78-4DTXSID60169021RefChem:371509DTXCID0091512S,S-Dimethyl S-(prop-2-yn-1-yl) phosphorotrithioate
Database identifiers
- CAS
17118-78-4- PubChem CID
- 86955
- DTXSID
DTXSID60169021- Nikkaji
- J50.492K
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 93 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 175
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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