Products Categories
CAS No.: | 623564-59-0 |
---|---|
Name: | ethyl 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]thiazine-2-carboxylate |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C9H12N2O2S |
Molecular Weight: | 212.272 |
Synonyms: | Ethyl 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]thiazine-2-carboxylate; |
Density: | 1.384 g/cm3 |
Boiling Point: | 398.428 °C at 760 mmHg |
Flash Point: | 194.763 °C |
PSA: | 69.42000 |
LogP: | 1.30660 |
What can I do for you?
Get Best Price
The CAS registry number of 4H-Pyrazolo[5,1-c][1,4]thiazine-2-carboxylic acid, 6,7-dihydro-, ethylester is 67107-87-3. This chemical's molecular formula is C9H12N2O2S and molecular weight is 212.26878. What's more, its systematic name is Ethyl 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]thiazine-2-carboxylate.
Physical properties about 4H-Pyrazolo[5,1-c][1,4]thiazine-2-carboxylic acid, 6,7-dihydro-, ethylester: (1)ACD/LogP: 2.64; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 69.42 Å2; (7)Index of Refraction: 1.648; (8)Molar Refractivity: 55.799 cm3; (9)Molar Volume: 153.36 cm3; (10)Surface Tension: 52.567 dyne/cm; (11)Density: 1.384 g/cm3; (12)Flash Point: 194.763 °C; (13)Enthalpy of Vaporization: 64.901 kJ/mol; (14)Boiling Point: 398.428 °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=C(OCC)c1nn2c(c1)CSCC2
(2) InChI: InChI=1/C9H12N2O2S/c1-2-13-9(12)8-5-7-6-14-4-3-11(7)10-8/h5H,2-4,6H2,1H3
(3) InChIKey: XCDXZBOCFHTGBZ-UHFFFAOYAT