Basic information
- CAS
73987-11-8- Standard SMILES
CC1(C)OCC(CSc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)O1- InChIKey
DVLUIQKNFOKCIV-UHFFFAOYSA-N- Molecular formula
- C12H11Cl5O2S
- Average molar mass
- 396.5 g/mol
- Monoisotopic mass
- 393.892239
Names & identifiers
- Preferred name
- 1,3-Dioxolane, 2,2-dimethyl-4-((pentachlorophenylthio)methyl)-
- IUPAC
- 2,2-dimethyl-4-[(2,3,4,5,6-pentachlorophenyl)sulfanylmethyl]-1,3-dioxolane
Names & synonyms
73987-11-82,2-Dimethyl-4-((pentachlorophenylthio)methyl)-1,3-dioxolane3-Pentachlorophenylthio-1,2-propanediol acetonide1,3-DIOXOLANE, 2,2-DIMETHYL-4-((PENTACHLOROPHENYLTHIO)METHYL)-RefChem:218913DTXSID709952522,2-dimethyl-4-{[(pentachlorophenyl)sulfanyl]methyl}-1,3-dioxolane
Database identifiers
- CAS
73987-11-8- PubChem CID
- 52846
- DTXSID
DTXSID70995252- Nikkaji
- J83.704K
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 43.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 330
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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