ST036853
Basic information
- CAS
29866-41-9- Standard SMILES
CSC(SC)=C(C(C)=O)C(=O)c1ccccc1- InChIKey
PBPOHPHKRJNISY-UHFFFAOYSA-N- Molecular formula
- C13H14O2S2
- Average molar mass
- 266.4 g/mol
- Monoisotopic mass
- 266.04352203
Names & identifiers
- Preferred name
- ST036853
- IUPAC
- 2-[bis(methylsulfanyl)methylidene]-1-phenylbutane-1,3-dione
Names & synonyms
ST036853DTXSID8035174429866-41-9RefChem:381343DTXCID603028102-[bis(methylsulfanyl)methylidene]-1-phenylbutane-1,3-dioneSCHEMBL11455726AKOS0160343162-(dimethylthiomethylene)-1-phenylbutane-1,3-dione
Database identifiers
- CAS
29866-41-9- PubChem CID
- 708378
- DTXSID
DTXSID80351744- Nikkaji
- J2.003.615J
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 84.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 322
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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