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165948-21-0

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Basic Information
CAS No.: 165948-21-0
Name: 5-(Tert-Butoxycarbonyl)-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxylic acid
Article Data: 1
Molecular Structure:
Molecular Structure of 165948-21-0 (5-(Tert-Butoxycarbonyl)-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxylic acid)
Formula: C12H16N2O4S
Molecular Weight: 284.33144
Synonyms: 5-(tert-Butoxycarbonyl)-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid;
Density: 1.355 g/cm3
Boiling Point: 467.2 °C at 760 mmHg
Flash Point: 236.4 °C
PSA: 107.97000
LogP: 2.07240
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Specification

The 5-(Tert-Butoxycarbonyl)-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxylic acid, with the CAS registry number 165948-21-0, is also known as Thiazolo[5,4-c]pyridine-2,5(4H)-dicarboxylic acid, 6,7-dihydro-, 5-(1,1-dimethylethyl) ester. This chemical's molecular formula is C12H16N2O4S and molecular weight is 284.33144. What's more, its systematic name is called 5-(tert-Butoxycarbonyl)-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid.

Physical properties about 5-(Tert-Butoxycarbonyl)-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxylic acid are: (1)ACD/LogP: 2.04; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1.27; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 6; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 96.97 Å2; (11)Index of Refraction: 1.584; (12)Molar Refractivity: 70.21 cm3; (13)Molar Volume: 209.7 cm3; (14)Surface Tension: 59.2 dyne/cm; (15)Density: 1.355 g/cm3; (16)Flash Point: 236.4 °C; (17)Enthalpy of Vaporization: 76.82 kJ/mol; (18)Boiling Point: 467.2 °C at 760 mmHg; (19)Vapour Pressure: 1.57E-09 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC(C)(C)C)N2CCc1nc(sc1C2)C(=O)O
(2) InChI: InChI=1/C12H16N2O4S/c1-12(2,3)18-11(17)14-5-4-7-8(6-14)19-9(13-7)10(15)16/h4-6H2,1-3H3,(H,15,16)
(3) InChIKey: LLPCRFYYYVEWMH-UHFFFAOYAS