Basic information
- CAS
46824-14-0- Standard SMILES
CCN1C=CSC1=CC=Cc1scc[n+]1CC- InChIKey
WZNRGEJNRNPIRW-UHFFFAOYSA-N- Molecular formula
- C13H17N2S2+
- Average molar mass
- 265.4 g/mol
- Monoisotopic mass
- 265.0833159
Names & identifiers
- Preferred name
- Thiazolium, 3-ethyl-2-[3-(3-ethyl-2(3H)-thiazolylidene)-1-propenyl]-
- IUPAC
- 3-ethyl-2-[3-(3-ethyl-1,3-thiazol-3-ium-2-yl)prop-2-enylidene]-1,3-thiazole
Names & synonyms
46824-14-0Thiazolium, 3-ethyl-2-[3-(3-ethyl-2(3H)-thiazolylidene)-1-propenyl]-SCHEMBL14465591DTXSID803519063-Ethyl-2-[3-(3-ethyl-1,3-thiazol-2(3H)-ylidene)prop-1-en-1-yl]-1,3-thiazol-3-ium
Database identifiers
- CAS
46824-14-0- PubChem CID
- 713227
- DTXSID
DTXSID80351906
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 1
- Complexity
- 307
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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