Basic information
- CAS
43040-60-4- Standard SMILES
O=C(O)CCc1ccc2c(c1)Cc1ccccc1CS2- InChIKey
FTPPBDMHNFPBAX-UHFFFAOYSA-N- Molecular formula
- C17H16O2S
- Average molar mass
- 284.4 g/mol
- Monoisotopic mass
- 284.08710092
Names & identifiers
- Preferred name
- Dibenzo(b,e)thiepin-2-propanoic acid, 6,11-dihydro-
- IUPAC
- 3-(6,11-dihydrobenzo[c][1]benzothiepin-2-yl)propanoic acid
Names & synonyms
BRN 1389198DIBENZO(b,e)THIEPIN-2-PROPANOIC ACID, 6,11-DIHYDRO-6,11-Dihydrodibenzo(b,e)thiepin-2-propanoic acid3-(6H,11H-Dibenzo(b,e)thiepin-2-yl)propionic acid43040-60-4DTXSID50195657RefChem:337120DTXCID901181483-(6,11-dihydrodibenzo[b,e]thiepin-2-yl)propanoic acid
Database identifiers
- CAS
43040-60-4- PubChem CID
- 39374
- DTXSID
DTXSID50195657
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 344
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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