Basic information
- CAS
43061-75-2- Standard SMILES
CC[n+]1c(/C=C/N(C(C)=O)c2ccccc2)sc2ccccc21- InChIKey
BGIJLSGWNSIFDW-UHFFFAOYSA-N- Molecular formula
- C19H19N2OS+
- Average molar mass
- 323.4 g/mol
- Monoisotopic mass
- 323.12180941
Overview
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Names & identifiers
- Preferred name
- 2-(2-(Acetylphenylamino)vinyl)-3-ethylbenzothiazolium
- IUPAC
- N-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N-phenylacetamide
- English name
- 2-(2'-Acetanilino)vinyl-3-ethyl-benzothiazolium iodide
- Molecular formula
- C19H19IN2OS
- Molecular weight
- 450.34
Names & synonyms
43061-75-2STK396284AKOS000546784NS000312932-(2-(Acetylphenylamino)vinyl)-3-ethylbenzothiazolium2-{(E)-2-[acetyl(phenyl)amino]ethenyl}-3-ethyl-1,3-benzothiazol-3-ium3-Ethyl-2-[2-(N-phenylacetamido)ethen-1-yl]-1,3-benzothiazol-3-ium2-[2-(acetylphenylamino)vinyl]-3-ethylbenzothiazolium2-(2'-Acetanilino)vinyl-3-ethyl-benzothiazolium iodide2-[2-[(Acetyl)phenylamino]ethenyl]-3-ethylbenzothiazolium2-[2-[(Acetyl)phenylamino]ethenyl]-3-ethylbenzothiazol-3-ium
Database identifiers
- CAS
43061-75-2- PubChem CID
- 830254
- EC Number
- 256-069-4
- Nikkaji
- J415.482G
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 52.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 1
- Complexity
- 433
Physicochemical properties
- EPA Substance Registry System
- 2 · Benzothiazolium, 2-[2-(acetylphenylamino)ethenyl]-3-ethyl- (43061-75-2)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Suppliers1 total
上海齐奥化工科技有限公司021-58892003 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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