"2-{[6-({[4-(methylsulfonyl)phenyl]acetyl}amino)-1,3-benzothiazol-2-yl]sulfanyl}ethyl acetate" is a complex organic compound with the molecular formula C20H18N2O5S3. It is a derivative of benzothiazole, a heterocyclic compound with potential applications in various fields, including pharmaceuticals and materials science. The structure of 2-{[6-({[4-(methylsulfonyl)phenyl]acetyl}amino)-1,3-benzothiazol-2-yl]sulfanyl}ethyl acetate features a benzothiazole core, with a sulfanyl group at the 2-position, an acetylated amino group at the 6-position, and a methylsulfonylphenyl group attached to the acetyl moiety. The compound is further esterified with acetic acid at the terminal end. This specific arrangement of functional groups may confer unique chemical and biological properties, making it a subject of interest for researchers in the development of new drugs and other chemical applications.
4061-42-1
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Basic information
- Product Name: 2-{[6-({[4-(methylsulfonyl)phenyl]acetyl}amino)-1,3-benzothiazol-2-yl]sulfanyl}ethyl acetate
- Synonyms:
- CAS NO:4061-42-1
- Molecular Formula: C11H16N2O
- Molecular Weight: 464.5782
- EINECS: N/A
- Product Categories: N/A
- Mol File: 4061-42-1.mol
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Chemical Properties
- Melting Point: N/A
- Boiling Point: N/A
- Flash Point: N/A
- Appearance: N/A
- Density: 1.44g/cm3
- Refractive Index: 1.67
- Storage Temp.: N/A
- Solubility: N/A
- CAS DataBase Reference: 2-{[6-({[4-(methylsulfonyl)phenyl]acetyl}amino)-1,3-benzothiazol-2-yl]sulfanyl}ethyl acetate(CAS DataBase Reference)
- NIST Chemistry Reference: 2-{[6-({[4-(methylsulfonyl)phenyl]acetyl}amino)-1,3-benzothiazol-2-yl]sulfanyl}ethyl acetate(4061-42-1)
- EPA Substance Registry System: 2-{[6-({[4-(methylsulfonyl)phenyl]acetyl}amino)-1,3-benzothiazol-2-yl]sulfanyl}ethyl acetate(4061-42-1)
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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: 4061-42-1(Hazardous Substances Data)
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Molecular structure
2-[6-([4-(methylsulfonyl)phenyl]acetylamino)-1,3-benzothiazol-2-yl]sulfanylethyl acetate has a complex molecular structure, which includes a benzothiazole ring, a sulfanyl group, an acetate functional group, and a methylsulfonylphenylacetylamine moiety.Benzothiazole ring
The compound contains a 1,3-benzothiazol-2-yl group, which is a heterocyclic aromatic ring consisting of a benzene ring fused with a thiazole ring.Sulfanyl group
The compound has a sulfanyl group (-S) attached to the benzothiazole ring, which is a sulfur atom bonded to a carbon atom.Acetate functional group
The compound contains an acetate group (-COOCH3), which is a carbonyl group (C=O) bonded to an oxygen atom and a methyl group (-CH3).Methylsulfonylphenylacetylamine moiety
The compound has a 4-(methylsulfonyl)phenyl group connected to an acetyl amino group (-NHCOCH3), which is an amide derived from acetic acid.Potential applications
Due to its unique structure and potential chemical reactivity, 2-[6-([4-(methylsulfonyl)phenyl]acetylamino)-1,3-benzothiazol-2-yl]sulfanylethyl acetate may have various applications in chemistry, pharmaceuticals, or materials science.Complex nature
The compound's complex molecular structure necessitates extensive testing and analysis to determine its precise properties and potential uses.Check Digit Verification of cas no
The CAS Registry Mumber 4061-42-1 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 4,0,6 and 1 respectively; the second part has 2 digits, 4 and 2 respectively.Calculate Digit Verification of CAS Registry Number 4061-42:
(6*4)+(5*0)+(4*6)+(3*1)+(2*4)+(1*2)=61
61 % 10 = 1
So 4061-42-1 is a valid CAS Registry Number.
4061-42-1Upstream product
4061-42-1Downstream Products
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2-{[6-({[4-(methylsulfonyl)phenyl]acetyl}amino)-1,3-benzothiazol-2-yl]sulfanyl}ethyl acetate
