Acetic acid 1,5-dithia-s-indacen-4-yl ester
Basic information
- CAS
31937-00-5- Standard SMILES
CC(=O)Oc1c2ccsc2cc2ccsc12- InChIKey
DGANHODTSBSIED-UHFFFAOYSA-N- Molecular formula
- C12H8O2S2
- Average molar mass
- 248.3 g/mol
- Monoisotopic mass
- 247.99657184
Names & identifiers
- Preferred name
- Acetic acid 1,5-dithia-s-indacen-4-yl ester
- IUPAC
- thieno[2,3-f][1]benzothiol-4-yl acetate
Names & synonyms
Acetic acid 1,5-dithia-s-indacen-4-yl ester31937-00-516HK4JIF0SUNII-16HK4JIF0SNSC 149714NSC-149714DTXSID90185774BENZO(1,2-B:4,5-B')DITHIOPHENE-2-OL, ACETATERefChem:108882DTXCID30108265NSC149714SCHEMBL6993194
Show more names
thieno[2,3-f]benzothiophen-4-yl acetateBenzo[1,2-b:4,5-b']bisthiophen-4-yl acetate
Database identifiers
- CAS
31937-00-5- PubChem CID
- 288502
- DTXSID
DTXSID90185774- UNII
- 16HK4JIF0S
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 82.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 295
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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