The chemical compound "7-tert-butyl-2-(3-chlorophenyl)-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one" is a complex organic molecule with a unique structure. It features a benzothienopyrimidinone core, which is a fused ring system combining a benzene ring with a thieno and pyrimidine ring. The compound is characterized by a 7-tert-butyl group, which provides steric hindrance and affects its physical properties, and a 3-chlorophenyl group, which introduces a chlorine atom at the third position of the phenyl ring, potentially influencing its reactivity and binding affinity. The hexahydro prefix indicates that the compound has six hydrogen atoms added across the molecule, which can affect its stability and solubility. This specific arrangement of atoms and functional groups gives the compound its distinct chemical properties and potential applications in various fields, such as pharmaceuticals or materials science.
5086-68-0
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Basic information
- Product Name: 7-tert-butyl-2-(3-chlorophenyl)-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
- Synonyms: 7-tert-butyl-2-(3-chlorophenyl)-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4-ol
- CAS NO:5086-68-0
- Molecular Formula: C14H15F3N2O2S
- Molecular Weight: 374.9274
- EINECS: N/A
- Product Categories: N/A
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Chemical Properties
- Melting Point: N/A
- Boiling Point: 613.7°C at 760 mmHg
- Flash Point: 325°C
- Appearance: N/A
- Density: 1.235g/cm3
- Vapor Pressure: 5.37E-15mmHg at 25°C
- Refractive Index: 1.596
- Storage Temp.: N/A
- Solubility: N/A
- CAS DataBase Reference: 7-tert-butyl-2-(3-chlorophenyl)-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one(CAS DataBase Reference)
- NIST Chemistry Reference: 7-tert-butyl-2-(3-chlorophenyl)-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one(5086-68-0)
- EPA Substance Registry System: 7-tert-butyl-2-(3-chlorophenyl)-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one(5086-68-0)
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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: 5086-68-0(Hazardous Substances Data)
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Check Digit Verification of cas no
The CAS Registry Mumber 5086-68-0 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,0,8 and 6 respectively; the second part has 2 digits, 6 and 8 respectively.Calculate Digit Verification of CAS Registry Number 5086-68:
(6*5)+(5*0)+(4*8)+(3*6)+(2*6)+(1*8)=100
100 % 10 = 0
So 5086-68-0 is a valid CAS Registry Number.
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7-tert-butyl-2-(3-chlorophenyl)-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
