The chemical "2-[3-(3-ethyl-3H-benzothiazol-2-ylidene)-2-methylprop-1-enyl]-5,6-dimethyl-3-(3-sulphonatopropyl)benzothiazolium" is a complex organic compound with a molecular formula of C23H24N2O3S3. It is characterized by a benzothiazolium core, which is a heterocyclic compound containing sulfur and nitrogen. The molecule features a 3-ethyl-3H-benzothiazol-2-ylidene group, a 2-methylprop-1-enyl chain, and a 3-sulphonatopropyl substituent. 2-[3-(3-ethyl-3H-benzothiazol-2-ylidene)-2-methylprop-1-enyl]-5,6-dimethyl-3-(3-sulphonatopropyl)benzothiazolium is known for its potential applications in various fields, such as pharmaceuticals and materials science, due to its unique structure and properties. It is important to note that the compound's exact applications and properties are not specified in the given information, and further research would be required to understand its full potential.
7691-71-6
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Basic information
- Product Name: 2-[3-(3-ethyl-3H-benzothiazol-2-ylidene)-2-methylprop-1-enyl]-5,6-dimethyl-3-(3-sulphonatopropyl)benzothiazolium
- Synonyms: 2-[3-(3-ethyl-3H-benzothiazol-2-ylidene)-2-methylprop-1-enyl]-5,6-dimethyl-3-(3-sulphonatopropyl)benzothiazolium;2-[3-[3-Ethylbenzothiazol-2(3H)-ylidene]-2-methyl-1-propenyl]-5,6-dimethylbenzothiazol-3-ium-3-(1-propanesulfonate)
- CAS NO:7691-71-6
- Molecular Formula: C25H28N2O3S3
- Molecular Weight: 500.69642
- EINECS: 231-702-7
- Product Categories: N/A
- Mol File: 7691-71-6.mol
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Chemical Properties
- Melting Point: N/A
- Boiling Point: N/A
- Flash Point: N/A
- Appearance: /
- Density: N/A
- Refractive Index: N/A
- Storage Temp.: N/A
- Solubility: N/A
- CAS DataBase Reference: 2-[3-(3-ethyl-3H-benzothiazol-2-ylidene)-2-methylprop-1-enyl]-5,6-dimethyl-3-(3-sulphonatopropyl)benzothiazolium(CAS DataBase Reference)
- NIST Chemistry Reference: 2-[3-(3-ethyl-3H-benzothiazol-2-ylidene)-2-methylprop-1-enyl]-5,6-dimethyl-3-(3-sulphonatopropyl)benzothiazolium(7691-71-6)
- EPA Substance Registry System: 2-[3-(3-ethyl-3H-benzothiazol-2-ylidene)-2-methylprop-1-enyl]-5,6-dimethyl-3-(3-sulphonatopropyl)benzothiazolium(7691-71-6)
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Safety Data
- Hazard Codes: N/A
- Statements: N/A
- Safety Statements: N/A
- WGK Germany:
- RTECS:
- HazardClass: N/A
- PackingGroup: N/A
- Hazardous Substances Data: 7691-71-6(Hazardous Substances Data)
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Molecular structure
A complex organic compound with a benzothiazolium core and multiple substituents.Benzothiazole ring
The central ring structure of the compound, which is a five-membered heterocyclic ring containing sulfur and nitrogen atoms.Sulphonatopropyl group
A functional group containing a sulfonic acid (-SO3H) attached to a three-carbon propyl chain, attached to the benzothiazole ring.3-ethyl-3H-benzothiazol-2-ylidene
A substituent containing a benzothiazole ring with an ethyl group attached to the carbon adjacent to the sulfur atom, connected to the benzothiazole ring through a double bond.2-methylprop-1-enyl group
A substituent containing a propylene group (three-carbon chain with a double bond between two carbons) with a methyl group attached to the middle carbon, connected to the benzothiazole ring through a double bond.5,6-dimethyl-3 group
A substituent containing two methyl groups attached to the benzothiazole ring at positions 5 and 6, and a hydrogen atom at position 3.Synthetic chemical
A chemical that is artificially created through chemical synthesis, rather than being derived from natural sources.Potential applications
The compound may have uses in various fields, such as pharmaceuticals, materials science, or organic synthesis, due to its complex structure and substituents.Chemical and biological research
The compound's structure and properties may be of interest for further study and development in the fields of chemistry and biology.Check Digit Verification of cas no
The CAS Registry Mumber 7691-71-6 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 7,6,9 and 1 respectively; the second part has 2 digits, 7 and 1 respectively.Calculate Digit Verification of CAS Registry Number 7691-71:
(6*7)+(5*6)+(4*9)+(3*1)+(2*7)+(1*1)=126
126 % 10 = 6
So 7691-71-6 is a valid CAS Registry Number.
InChI:InChI=1/C25H28N2O3S3/c1-5-26-20-9-6-7-10-22(20)31-24(26)13-17(2)14-25-27(11-8-12-33(28,29)30)21-15-18(3)19(4)16-23(21)32-25/h6-7,9-10,13-16H,5,8,11-12H2,1-4H3
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2-[3-(3-ethyl-3H-benzothiazol-2-ylidene)-2-methylprop-1-enyl]-5,6-dimethyl-3-(3-sulphonatopropyl)benzothiazolium
