4lambda6,9lambda6,14lambda6-Trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,6,11-triene 4,4,9,9,14,14-hexaoxide
Basic information
- CAS
67130-92-1- Standard SMILES
O=S1(=O)Cc2c3c(c4c(c2C1)CS(=O)(=O)C4)CS(=O)(=O)C3- InChIKey
URHGMBNIKBLOQL-UHFFFAOYSA-N- Molecular formula
- C12H12O6S3
- Average molar mass
- 348.4 g/mol
- Monoisotopic mass
- 347.97960162
Names & identifiers
- Preferred name
- 4lambda6,9lambda6,14lambda6-Trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,6,11-triene 4,4,9,9,14,14-hexaoxide
- IUPAC
- 4λ6,9λ6,14λ6-trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,6,11-triene 4,4,9,9,14,14-hexaoxide
Names & synonyms
NSC31345467130-92-1DTXSID20317263NSC-3134544,6,7,9-Tetrahydro-1H-2lambda~6~,5lambda~6~,8lambda~6~-benzo[1,2-c:3,4-c':5,6-c'']tristhiophene-2,2,5,5,8,8(3H)-hexone
Database identifiers
- CAS
67130-92-1- PubChem CID
- 329650
- DTXSID
DTXSID20317263
Properties
Computed structural properties
- XLogP
- -1.8
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 620
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Compound notes
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