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CAS No.: | 623564-62-5 |
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Name: | 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]thiazine-2-carbaldehyde |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C7H8N2OS |
Molecular Weight: | 168.219 |
Synonyms: | 6,7-Dihydro-4H-pyrazolo[5,1-c][1,4]thiazine-2-carbaldehyde; |
Density: | 1.458 g/cm3 |
Boiling Point: | 390.874 °C at 760 mmHg |
Flash Point: | 190.194 °C |
PSA: | 60.19000 |
LogP: | 0.94240 |
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The CAS registry number of 4H-Pyrazolo[5,1-c][1,4]thiazine-2-carboxaldehyde, 6,7-dihydro- is 623564-62-5. This chemical's molecular formula is C7H8N2OS and molecular weight is 168.21622. What's more, its systematic name is called 6,7-Dihydro-4H-pyrazolo[5,1-c][1,4]thiazine-2-carbaldehyde.
Physical properties about 4H-Pyrazolo[5,1-c][1,4]thiazine-2-carboxaldehyde, 6,7-dihydro- are: (1)ACD/LogP: 1.63; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 60.19 Å2; (7)Index of Refraction: 1.716; (8)Molar Refractivity: 45.377 cm3; (9)Molar Volume: 115.387 cm3; (10)Surface Tension: 62.22 dyne/cm; (11)Density: 1.458 g/cm3; (12)Flash Point: 190.194 °C; (13)Enthalpy of Vaporization: 64.041 kJ/mol; (14)Boiling Point: 390.874 °C at 760 mmHg; (15)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=Cc1nn2c(c1)CSCC2
(2) InChI: InChI=1/C7H8N2OS/c10-4-6-3-7-5-11-2-1-9(7)8-6/h3-4H,1-2,5H2
(3) InChIKey: OKHWXBHLURLUPN-UHFFFAOYAO