2-Ethylthioxanthen-9-one
Basic information
- CAS
5495-83-0- Standard SMILES
CCc1ccc2sc3ccccc3c(=O)c2c1- InChIKey
YJQMXVDKXSQCDI-UHFFFAOYSA-N- Molecular formula
- C15H12OS
- Average molar mass
- 240.3 g/mol
- Monoisotopic mass
- 240.06088618
Names & identifiers
- Preferred name
- 2-Ethylthioxanthen-9-one
- IUPAC
- 2-ethylthioxanthen-9-one
Names & synonyms
2-ethylthioxanthen-9-one5495-83-0DTXSID50347073RefChem:260724DTXCID802981452-Ethyl-9H-thioxanthen-9-oneSCHEMBL166961SCHEMBL29422893YJQMXVDKXSQCDI-UHFFFAOYSA-N2-ethyldibenzo[b,e]thiin-10-one2-Ethyl-9H-thioxanthen-9-one #AKOS022143938
Show more names
ST4500125610H-Dibenzo[b,E]thiopyran-10-one, 2-ethyl-
Database identifiers
- CAS
5495-83-0- PubChem CID
- 617658
- DTXSID
DTXSID50347073- Nikkaji
- J2.022.870I
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 301
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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