3-Octyl-2-sulfanylidene-1,3-diazinan-4-one is a complex organic compound with the molecular formula C11H21N3OS. It is a derivative of 1,3-diazinan-4-one, featuring an octyl chain and a sulfanylidene group. 3-octyl-2-sulfanylidene-1,3-diazinan-4-one is characterized by its unique structure, which includes a six-membered diazane ring with a carbonyl group at the 4-position, an octyl chain attached to the 3-position, and a sulfanylidene group at the 2-position. The presence of the sulfanylidene group imparts specific chemical properties, such as reactivity with nucleophiles and electrophiles, making it potentially useful in the synthesis of various pharmaceuticals and other chemical products. Its applications may span across different industries, including pharmaceuticals, agrochemicals, and materials science, where it could be employed as an intermediate in the synthesis of more complex molecules or as a reagent in specific chemical transformations.
5540-66-9
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Basic information
- Product Name: 3-octyl-2-sulfanylidene-1,3-diazinan-4-one
- Synonyms: 3-octyl-2-sulfanylidene-1,3-diazinan-4-one;2,3,5,6-Tetrahydro-3-octyl-2-thioxo-4(1H)-pyrimidinone
- CAS NO:5540-66-9
- Molecular Formula: C12H22N2OS
- Molecular Weight: 242.38
- EINECS: N/A
- Product Categories: N/A
- Mol File: 5540-66-9.mol
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Chemical Properties
- Melting Point: N/A
- Boiling Point: 332.7°Cat760mmHg
- Flash Point: 155°C
- Appearance: /
- Density: 1.07g/cm3
- Vapor Pressure: 0.000143mmHg at 25°C
- Refractive Index: 1.538
- Storage Temp.: N/A
- Solubility: N/A
- CAS DataBase Reference: 3-octyl-2-sulfanylidene-1,3-diazinan-4-one(CAS DataBase Reference)
- NIST Chemistry Reference: 3-octyl-2-sulfanylidene-1,3-diazinan-4-one(5540-66-9)
- EPA Substance Registry System: 3-octyl-2-sulfanylidene-1,3-diazinan-4-one(5540-66-9)
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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: 5540-66-9(Hazardous Substances Data)
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Check Digit Verification of cas no
The CAS Registry Mumber 5540-66-9 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,5,4 and 0 respectively; the second part has 2 digits, 6 and 6 respectively.Calculate Digit Verification of CAS Registry Number 5540-66:
(6*5)+(5*5)+(4*4)+(3*0)+(2*6)+(1*6)=89
89 % 10 = 9
So 5540-66-9 is a valid CAS Registry Number.
InChI:InChI=1/C12H22N2OS/c1-2-3-4-5-6-7-10-14-11(15)8-9-13-12(14)16/h2-10H2,1H3,(H,13,16)
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3-octyl-2-sulfanylidene-1,3-diazinan-4-one
