1,3'-Dimethylspiro(1,3-benzodithiole-2,2'-(2,3-dihydro-(1H)-perimidine))
Basic information
- CAS
99643-44-4- Standard SMILES
CN1c2cccc3cccc(c23)N(C)C12Sc1ccccc1S2- InChIKey
AGIAXUSQWUNMHG-UHFFFAOYSA-N- Molecular formula
- C19H16N2S2
- Average molar mass
- 336.5 g/mol
- Monoisotopic mass
- 336.07549087
Names & identifiers
- Preferred name
- 1,3'-Dimethylspiro(1,3-benzodithiole-2,2'-(2,3-dihydro-(1H)-perimidine))
- IUPAC
- 1',3'-dimethylspiro[1,3-benzodithiole-2,2'-perimidine]
Names & synonyms
1,3'-Dimethylspiro(1,3-benzodithiole-2,2'-(2,3-dihydro-(1H)-perimidine))99643-44-41,3'-Dimethylspiro[1,3-benzodithiole-2,2'-(2,3-dihydro-[1H]-perimidine)]DTXSID602441801',3'-Dimethyl-1'H,3'H-spiro[[1,3]benzodithiole-2,2'-perimidine]
Database identifiers
- CAS
99643-44-4- PubChem CID
- 145349
- DTXSID
DTXSID60244180
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 57.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 430
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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