Basic information
- CAS
20328-87-4- Standard SMILES
CC[N+]1=C(C=CNc2ccc(NC=CC3=[N+](CC)CCS3)c(C(=O)O)c2)SCC1.[I-].[I-]- InChIKey
VBICKBHSMQKWCS-UHFFFAOYSA-N- Molecular formula
- C21H28I2N4O2S2
- Average molar mass
- 686.4 g/mol
- Monoisotopic mass
- 685.97431
Names & identifiers
- Preferred name
- Thiazolium, 2,2'-[(2-carboxy-1,4-phenylene)bis(imino-2,1-ethenediyl)]bis[3-ethyl-4,5-dihydro-, iodide (1:2)
- IUPAC
- 2,5-bis[2-(3-ethyl-4,5-dihydro-1,3-thiazol-3-ium-2-yl)ethenylamino]benzoic acid diiodide
- English name
- 2,2'-[(2-carboxy-p-phenylene)bis(iminovinylene)]bis[3-ethyl-4,5-dihydrothiazolium] diiodide
- Molecular formula
- C21H28I2N4O2S2
- Molecular weight
- 686.41156
Names & synonyms
20328-87-4EINECS 243-738-0DTXSID40889679Thiazolium, 2,2'-((2-carboxy-1,4-phenylene)bis(imino-2,1-ethenediyl))bis(3-ethyl-4,5-dihydro-, diiodideThiazolium, 2,2'-((2-carboxy-1,4-phenylene)bis(imino-2,1-ethenediyl))bis(3-ethyl-4,5-dihydro-, iodide (1:2)Thiazolium, 2,2'-[(2-carboxy-1,4-phenylene)bis(imino-2,1-ethenediyl)]bis[3-ethyl-4,5-dihydro-, diiodideThiazolium, 2,2'-[(2-carboxy-1,4-phenylene)bis(imino-2,1-ethenediyl)]bis[3-ethyl-4,5-dihydro-, iodide (1:2)RefChem:189296DTXCID9010289312,2'-((2-Carboxy-p-phenylene)bis(iminovinylene))bis(3-ethyl-4,5-dihydrothiazolium) diiodide2,5-bis[2-(3-ethyl-4,5-dihydro-1,3-thiazol-3-ium-2-yl)ethenylamino]benzoic acid;diiodideSCHEMBL29960544
Show more names
2,2''-[(2-CARBOXY-P-PHENYLENE)BIS(IMINOVINYLENE)]BIS(3-ETHYL-2-THIAZOLINIUM) DIIODIDE2,2'-[(2-carboxy-p-phenylene)bis(iminovinylene)]bis[3-ethyl-4,5-dihydrothiazolium] diiodide
NS001210192,2'-[(2-Carboxy-1,4-phenylene)bis(azanediylethene-2,1-diyl)]bis(3-ethyl-4,5-dihydro-1,3-thiazol-3-ium) diiodide
Database identifiers
- CAS
20328-87-4- PubChem CID
- 89319
- DTXSID
DTXSID40889679- EC Number
- 243-738-0
Properties
Computed structural properties
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 717
Physicochemical properties
- EPA Substance Registry System
- 2 · Thiazolium, 2,2'-[(2-carboxy-1,4-phenylene)bis(imino-2,1-ethenediyl)]bis[3-ethyl-4,5-dihydro-, diiodide (20328-87-4)
- 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
Uses & manufacturing
General Manufacturing InformationThiazolium, 2,2'-[(2-carboxy-1,4-phenylene)bis(imino-2,1-ethenediyl)]bis[3-ethyl-4,5-dihydro-, iodide (1:2): INACTIVE
Suppliers2 total
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
ORGANICA+49 3494636389 · [email protected]
Related reactions
0 records
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Compound notes
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