Thieno[2,3-c]pyridine-3,6(5H)-dicarboxylicacid, 4,7-dihydro-, 6-(1,1-dimethylethyl) ester supplier

Name
6-BOC-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]PYRIDINE-3-CARBOXYLIC ACID
EINECS 200-258-5
CAS No. 889939-56-4
Density 1.308g/cm³
Solubility
Melting Point
Formula C₁₃H₁₇NO₄S
Boiling Point 440.6 °C at 760 mmHg
Molecular Weight 283.348
Flash Point 220.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 6-BOC-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]PYRIDINE-3-CARBOXYLIC ACID ;6-(tert-butoxycarbonyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid;Thieno[2,3-c]pyridine-3,6(5H)-dicarboxylicacid, 4,7-dihydro-, 6-(1,1-dimethylethyl) ester;6-(tert-butoxycarbonyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-
PSA 95.08000
LogP 2.67740

Thieno[2,3-c]pyridine-3,6(5H)-dicarboxylicacid, 4,7-dihydro-, 6-(1,1-dimethylethyl) ester Specification

The Thieno[2,3-c]pyridine-3,6(5H)-dicarboxylicacid, 4,7-dihydro-, 6-(1,1-dimethylethyl) ester, with CAS registry number 889939-56-4, has the systematic name of 6-(tert-butoxycarbonyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid. And its IUPAC name is 6-[(2-methylpropan-2-yl)oxycarbonyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid. And the chemical formula of this chemical is C₁₃H₁₇NO₄S.

Physical properties of Thieno[2,3-c]pyridine-3,6(5H)-dicarboxylicacid, 4,7-dihydro-, 6-(1,1-dimethylethyl) ester: (1)ACD/LogP: 2.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.89; (4)ACD/BCF (pH 5.5): 1.35; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 18; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 95.08 Å²; (12)Index of Refraction: 1.58; (13)Molar Refractivity: 72.12 cm³; (14)Molar Volume: 216.5 cm³; (15)Polarizability: 28.59×10^-24cm³; (16)Surface Tension: 53.7 dyne/cm; (17)Enthalpy of Vaporization: 73.54 kJ/mol; (18)Vapour Pressure: 1.53E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)N1CCc2c(C1)scc2C(O)=O
(2)InChI: InChI=1/C13H17NO4S/c1-13(2,3)18-12(17)14-5-4-8-9(11(15)16)7-19-10(8)6-14/h7H,4-6H2,1-3H3,(H,15,16)
(3)InChIKey: IAGIOFJILQXGIA-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C13H17NO4S/c1-13(2,3)18-12(17)14-5-4-8-9(11(15)16)7-19-10(8)6-14/h7H,4-6H2,1-3H3,(H,15,16)
(5)Std. InChIKey: IAGIOFJILQXGIA-UHFFFAOYSA-N

Product Name

6-BOC-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]PYRIDINE-3-CARBOXYLIC ACID

Thieno[2,3-c]pyridine-3,6(5H)-dicarboxylicacid, 4,7-dihydro-, 6-(1,1-dimethylethyl) ester Specification

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