1,5-Dihydro-7,8-dimethylbenzo-2,4-dithiepin
Basic information
- CAS
36568-23-7- Standard SMILES
Cc1cc2c(cc1C)CSCSC2- InChIKey
SMVKOIBFWKSJBJ-UHFFFAOYSA-N- Molecular formula
- C11H14S2
- Average molar mass
- 210.4 g/mol
- Monoisotopic mass
- 210.05369279
Names & identifiers
- Preferred name
- 1,5-Dihydro-7,8-dimethylbenzo-2,4-dithiepin
- IUPAC
- 7,8-dimethyl-1,5-dihydro-2,4-benzodithiepine
- English name
- 1,5-dihydro-7,8-dimethylbenzo-2,4-dithiepin
- Molecular formula
- C11H14S2
- Molecular weight
- 210.36
Names & synonyms
36568-23-71,5-Dihydro-7,8-dimethylbenzo-2,4-dithiepinEINECS 253-109-27,8-dimethyl-1,5-dihydro-2,4-benzodithiepineDTXSID50190066SMVKOIBFWKSJBJ-UHFFFAOYSA-NAKOS024307490DB-238169NS000300591,5-Dihydro-7,8-dimethylbenzo[2,4]dithiepin7,8-Dimethyl-1,5-dihydro-3H-2,4-benzodithiepine1,5-DIHYDRO-7,8-DIMETHYL-2,4-BENZODITHIEPIN
Show more names
2,4-Benzodithiepin, 1,5-dihydro-7,8-dimethyl-
Database identifiers
- CAS
36568-23-7- PubChem CID
- 119016
- DTXSID
DTXSID50190066- EC Number
- 253-109-2
- Nikkaji
- J267.282K
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 151
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Acute 1 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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