tert-Butyl 6,7-dihydrothieno[3,2-c]pyridine-5(4H)-carboxylate supplier

Name
tert-butyl 6,7-dihydrothieno[3,2-c]pyridine-5(4H)-carboxylate
EINECS
CAS No. 230301-73-2
Article Data9
CAS DataBase
Density 1.173 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₇NO₂S
Boiling Point 339.1 °C at 760 mmHg
Molecular Weight 239.338
Flash Point 158.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 6,7-Dihydro-4H-thieno[3,2-c]pyridine-5-carboxylicacid tert-butyl ester;N-(tert-Butoxycarbonyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;tert-Butyl 6,7-dihydro-thieno[3,2-c]pyridine-5(4H)-carboxylate;tert-Butyl6,7-dihydrothieno[3,2-c]pyridin-5(4H)-carboxylate;
PSA 57.78000
LogP 2.97920

tert-Butyl 6,7-dihydrothieno[3,2-c]pyridine-5(4H)-carboxylate Specification

The systematic name of tert-Butyl 6,7-dihydrothieno[3,2-c]pyridine-5(4H)-carboxylate is tert-butyl 6,7-dihydrothieno[3,2-c]pyridine-5(4H)-carboxylate. With the CAS registry number 230301-73-2, it is also named as Thieno[3,2-c]pyridine-5(4H)-carboxylicacid, 6,7-dihydro-, 1,1-dimethylethyl ester. The product's category is chiral chemicals. Moreover, its molecular formula is C₁₂H₁₇NO₂S and its molecular weight is 239.33.

The other characteristics of tert-Butyl 6,7-dihydrothieno[3,2-c]pyridine-5(4H)-carboxylate can be summarized as: (1)ACD/LogP: 2.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.62; (4)ACD/LogD (pH 7.4): 2.62; (5)ACD/BCF (pH 5.5): 57.85; (6)ACD/BCF (pH 7.4): 57.85; (7)ACD/KOC (pH 5.5): 635.47; (8)ACD/KOC (pH 7.4): 635.47; (9)H bond acceptors: 3; (10)H bond donors: 0; (11)Freely Rotating Bonds: 2; (12)Polar Surface Area: 57.78 Å²; (13)Index of Refraction: 1.552; (14)Molar Refractivity: 65.19 cm³; (15)Molar Volume: 203.9 cm³; (16)Polarizability: 25.84×10^-24cm³; (17)Surface Tension: 44.1 dyne/cm; (18)Density: 1.173 g/cm³; (19)Flash Point: 158.9 °C; (20)Enthalpy of Vaporization: 58.25 kJ/mol; (21)Boiling Point: 339.1 °C at 760 mmHg; (22)Vapour Pressure: 9.38E-05 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:CC(C)(C)OC(=O)N1Cc2ccsc2CC1
(2)InChI:InChI=1/C12H17NO2S/c1-12(2,3)15-11(14)13-6-4-10-9(8-13)5-7-16-10/h5,7H,4,6,8H2,1-3H3
(3)InChIKey:DGYXRUYCQAYVDM-UHFFFAOYAI
(4)Std. InChI:InChI=1S/C12H17NO2S/c1-12(2,3)15-11(14)13-6-4-10-9(8-13)5-7-16-10/h5,7H,4,6,8H2,1-
(5)Std. InChIKey:DGYXRUYCQAYVDM-UHFFFAOYSA-N

Product Name

tert-butyl 6,7-dihydrothieno[3,2-c]pyridine-5(4H)-carboxylate

tert-Butyl 6,7-dihydrothieno[3,2-c]pyridine-5(4H)-carboxylate Specification

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