2,6-Dithia-s-indacene-4,8-dione
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Basic information
- CAS
33527-23-0- Standard SMILES
O=C1c2cscc2C(=O)c2cscc21- InChIKey
YCQHVKQGWLAQMR-UHFFFAOYSA-N- Molecular formula
- C10H4O2S2
- Average molar mass
- 220.3 g/mol
- Monoisotopic mass
- 219.96527171
Names & identifiers
- Preferred name
- 2,6-Dithia-s-indacene-4,8-dione
- IUPAC
- thieno[3,4-f][2]benzothiole-4,8-dione
- English name
- 2,6-Dithia-s-indacene-4,8-dione
- Molecular formula
- C10H4O2S2
- Molecular weight
- 220.26756
Names & synonyms
2,6-Dithia-s-indacene-4,8-dione33527-23-0XX20GAW81RUNII-XX20GAW81RNSC 149710NSC-149710DTXSID901871721H,3H-BENZO(1,2-C:4,5-C')DITHIOPHENE-4,8-DIONERefChem:83364DTXCID00109663thieno[3,4-f][2]benzothiole-4,8-dioneNSC149710
Show more names
benzo[1,2-c:4,5-c]dithiophene-4,8-dione1H,3H-Benzo[1,2-c:4,5-c']dithiophene-4,8-dionebenzo[1,2-c:4,5-c]dithiophene-4,8-dione(WXG00150)
4H,8H-Benzo[1,2-c:4,5-c']dithiophene-4,8-dionebenzo[1,2-c:4,5-c']dithiophene-4,8-dioneSCHEMBL10926488YCQHVKQGWLAQMR-UHFFFAOYSA-NF709554H,8H-Benzo[1,2-c:4,5-c']bisthiophene-4,8-dione4,8-dihydrobenzo[1,2-c:4,5-c']dithiophene-4,8-dione4,8-dihydro-benzo[1,2-c:4,5-c']dithiophene-4,8-dione
Database identifiers
- CAS
33527-23-0- PubChem CID
- 288498
- DTXSID
DTXSID90187172- UNII
- XX20GAW81R
- Nikkaji
- J2.485.950I
Properties
Computed structural propertiesFilling in
- XLogP
- 2.2
- Topological polar surface area
- 90.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 248
Physicochemical properties
- Boiling point
- 408 · 408.0±35.0 °C(Predicted)
- Density
- 1.595 · 1.595±0.06 g/cm3(Predicted)
- FDA UNII
- 20 GAW81R · XX20GAW81R
Related reactions
2 records
Compound notes
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