Basic information
- CAS
99643-42-2- Standard SMILES
c1cc2c3c(cccc3c1)SC1(S2)Sc2cccc3cccc(c23)S1- InChIKey
DFCDCJLVMMPUSC-UHFFFAOYSA-N- Molecular formula
- C21H12S4
- Average molar mass
- 392.6 g/mol
- Monoisotopic mass
- 391.98218508
Names & identifiers
- Preferred name
- 2,2'-Spirobi(naphtho(1,8-de)-1,3-dithiin
- IUPAC
- 3,3'-spirobi[2,4-dithiatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene]
Names & synonyms
99643-42-22,2'-Spirobi(naphtho(1,8-de)-1,3-dithiin2,2'-Spirobi[naphtho[1,8-de]-1,3-dithiin2,2-Spirobi(naphtho(1,8-de)-1,3-dithiinDTXSID902441782,2'-Spirobi[naphtho[1,8-de][1,3]dithiine]
Database identifiers
- CAS
99643-42-2- PubChem CID
- 145347
- DTXSID
DTXSID90244178
Properties
Computed structural properties
- XLogP
- 7.9
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 433
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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