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Cas Database |
| Name |
tert-Butyl 2-bromo-6,7-dihydrothiazolo[5,4-c]pyridine-5(4H)-carboxylate |
EINECS | N/A |
| CAS No. | 365996-06-1 | Density | 1.496 g/cm3 |
| PSA | 70.67000 | LogP | 3.13670 |
| Solubility | N/A | Melting Point |
42-44 °C(Solv: ethyl ether (60-29-7)) |
| Formula | C11H15BrN2O2S | Boiling Point | 390.946 °C at 760 mmHg |
| Molecular Weight | 319.222 | Flash Point | 190.238 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 45 | Risk Codes | 25 |
| Molecular Structure |
|
Hazard Symbols | T |
| Synonyms |
2-Bromo-5-(tert-butoxycarbonyl)-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine;2-Bromo-6,7-dihydro-4H-thiazolo[5,4-c]pyridine-5-carboxylic acid tert-butylester;2-Bromo-6,7-dihydro[1,3]thiazolo[5,4-c]pyridine-5(4H)-carboxylic acidtert-butyl ester; |
Article Data | 19 |
tert-Butyl 2-bromo-6,7-dihydrothiazolo[5,4-c]pyridine-5(4H)-carboxylate Specification
The tert-Butyl 2-bromo-6,7-dihydrothiazolo[5,4-c]pyridine-5(4H)-carboxylate with its cas register number is 365996-06-1. It also can be called as Thiazolo[5,4-c]pyridine-5(4H)-carboxylicacid, 2-bromo-6,7-dihydro-, 1,1-dimethylethyl ester and the IUPAC Name about this chemical is tert-butyl 2-bromo-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate. It belongs to the Chiral chemicals.
Physical properties about tert-Butyl 2-bromo-6,7-dihydrothiazolo[5,4-c]pyridine-5(4H)-carboxylate are: (1)ACD/LogP: 3.09; (2)ACD/LogD (pH 5.5): 3.087; (3)ACD/LogD (pH 7.4): 3.087; (4)ACD/BCF (pH 5.5): 130.719; (5)ACD/BCF (pH 7.4): 130.726; (6)ACD/KOC (pH 5.5): 1138.879; (7)ACD/KOC (pH 7.4): 1138.939; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 70.67Å2; (11)Index of Refraction: 1.58; (12)Molar Refractivity: 70.974 cm3; (13)Molar Volume: 213.394 cm3; (14)Polarizability: 28.136x10-24cm3; (15)Surface Tension: 51.795 dyne/cm; (16)Enthalpy of Vaporization: 64.049 kJ/mol.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)N1CCc2c(sc(n2)Br)C1
(2)InChI: InChI=1/C11H15BrN2O2S/c1-11(2,3)16-10(15)14-5-4-7-8(6-14)17-9(12)13-7/h4-6H2,1-3H3
(3)InChIKey: RXXKNZKFRAFFOH-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C11H15BrN2O2S/c1-11(2,3)16-10(15)14-5-4-7-8(6-14)17-9(12)13-7/h4-6H2,1-3H3
(5)Std. InChIKey: RXXKNZKFRAFFOH-UHFFFAOYSA-N
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