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72391-43-6

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Basic Information
CAS No.: 72391-43-6
Name: 10,11-dihydro-9H-[1,3]thiazino[3,2-a]perimidine
Article Data: 2
Molecular Structure:
Molecular Structure of 72391-43-6 (10,11-dihydro-9H-[1,3]thiazino[3,2-a]perimidine)
Formula: C14H12N2S
Molecular Weight: 240.32
Synonyms: 10,11-Dihydro-9H-[1,3]thiazino[3,2-a]perimidine;
Density: 1.38 g/cm3
Boiling Point: 449.9 °C at 760 mmHg
Flash Point: 225.9 °C
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Specification

The 9H-[1,3]Thiazino[3,2-a]perimidine,10,11-dihydro- has the CAS registry number 72391-43-6. This chemical's molecular formula is C14H12N2S and molecular weight is 240.32. What's more, its systematic name is 10,11-Dihydro-9H-[1,3]thiazino[3,2-a]perimidine.

Physical properties of 9H-[1,3]Thiazino[3,2-a]perimidine,10,11-dihydro- are: (1)ACD/LogP: 2.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.27; (4)ACD/LogD (pH 7.4): 2.27; (5)ACD/BCF (pH 5.5): 31.13; (6)ACD/BCF (pH 7.4): 31.31; (7)ACD/KOC (pH 5.5): 407.06; (8)ACD/KOC (pH 7.4): 409.45; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 40.9 Å2; (13)Index of Refraction: 1.761; (14)Molar Refractivity: 71.68 cm3; (15)Molar Volume: 173.9 cm3; (16)Polarizability: 28.41×10-24 cm3; (17)Surface Tension: 57.5 dyne/cm; (18)Density: 1.38 g/cm3; (19)Flash Point: 225.9 °C; (20)Enthalpy of Vaporization: 70.87 kJ/mol; (21)Boiling Point: 449.9 °C at 760 mmHg; (22)Vapour Pressure: 2.76E-08 mmHg at 25°C.

Preparation: this chemical can be prepared by 1H,3H-perimidine-2-thione and 1,3-diiodo-propane by heating. This reaction will need reagents potassium carbonate, 18-crown-6 and solvent acetonitrile with the reaction time of 20 min. The yield is about 97%.

9H-[1,3]Thiazino[3,2-a]perimidine,10,11-dihydro- can be prepared by 1H,3H-perimidine-2-thione and 1,3-diiodo-propane by heating

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CN2C3=CC=CC4=C3C(=CC=C4)N=C2SC1
(2)InChI: InChI=1S/C14H12N2S/c1-4-10-5-2-7-12-13(10)11(6-1)15-14-16(12)8-3-9-17-14/h1-2,4-7H,3,8-9H2
(3)InChIKey: ZVUCKYBETOMRPZ-UHFFFAOYSA-N