Basic information
- CAS
10140-91-7- Standard SMILES
CC12CCCCC1(C)OP(=S)(Cl)OC2- InChIKey
HFORSFOJIJJXSO-UHFFFAOYSA-N- Molecular formula
- C9H16ClO2PS
- Average molar mass
- 254.71 g/mol
- Monoisotopic mass
- 254.0297156
Names & identifiers
- Preferred name
- 2-Chloro-4a,5,6,7,8,8a-hexahydro-4,8-dimethyl-4H-1,3,2-benzodioxaphosphorin 2-sulfide
- IUPAC
- 2-chloro-4a,8a-dimethyl-2-sulfanylidene-5,6,7,8-tetrahydro-4H-benzo[d][1,3,2]dioxaphosphinine
Names & synonyms
DTXSID009061392-Chloro-4a,5,6,7,8,8a-hexahydro-4,8-dimethyl-4H-1,3,2-benzodioxaphosphorin 2-sulfide2-Chloro-4a,8a-dimethylhexahydro-2H,4H-1,3,2lambda~5~-benzodioxaphosphinine-2-thione
Database identifiers
- CAS
10140-91-7- PubChem CID
- 112010
- DTXSID
DTXSID00906139
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 299
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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