Basic information
- CAS
61335-18-0- Standard SMILES
S=P1(Cl)Oc2ccccc2-c2ccccc2O1- InChIKey
MMSHXRLWUIYMCY-UHFFFAOYSA-N- Molecular formula
- C12H8ClO2PS
- Average molar mass
- 282.68 g/mol
- Monoisotopic mass
- 281.9671154
Overview
structure
Names & identifiers
- Preferred name
- 2,2'-Diphenylene chlorothiophosphonate
- IUPAC
- 6-chloro-6-sulfanylidenebenzo[d][1,3,2]benzodioxaphosphepine
Names & synonyms
61335-18-0Dibenzo(d,f)(1,3,2)dioxaphosphepin, 6-chloro-, sulfideDibenzo[d,f][1,3,2]dioxaphosphepin, 6-chloro-, sulfideRefChem:9084922,2'-Diphenylene chlorothiophosphonateNSC2979156-chloro-6-sulfanylidenebenzo[d][1,3,2]benzodioxaphosphepineSCHEMBL14901026DTXSID30976845MMSHXRLWUIYMCY-UHFFFAOYSA-NNSC-297915O,O'-(2,2'-Biphenylylene)thiophosphoric acid chloride
Show more names
6-Chlorodibenzo[d,f][1,3,2]dioxaphosphepine 6-sulfide #6-Chloro-6H-6lambda~5~-dibenzo[d,f][1,3,2]dioxaphosphepine-6-thione
Database identifiers
- CAS
61335-18-0- PubChem CID
- 326474
- DTXSID
DTXSID30976845- Nikkaji
- J2.910.886B、J591.277F
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 310
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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