Carbamic acid, N-2-thienyl-, 1,1-dimethylethyl ester supplier

Name
TERT-BUTYL N-(2-THIENYL)CARBAMATE
EINECS
CAS No. 56267-50-6
Article Data14
CAS DataBase
Density 1.186 g/cm³
Solubility
Melting Point 151 °C
Formula C₉H₁₃NO₂S
Boiling Point 238.1 °C at 760 mmHg
Molecular Weight 199.274
Flash Point 97.8 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms tert-Butyl thien-2-ylcarbamate;tert-Butyl thiophen-2-ylcarbamate;(tert-Butoxy)-N-(2-thienyl)carboxamide;Thiophen-2-ylcarbamic acid tert-butylester;tert-Butyl 2-thienylcarbamate;
PSA 66.57000
LogP 3.16810

Carbamic acid, N-2-thienyl-, 1,1-dimethylethyl ester Specification

The Carbamic acid, N-2-thienyl-, 1,1-dimethylethyl ester, with the CAS registry number 56267-50-6, is also known as 2-(N-Boc-amino)thiophene. This chemical's molecular formula is C₉H₁₃NO₂S and molecular weight is 199.27. What's more, its IUPAC name is tert-butyl N-thiophen-2-ylcarbamate.

Physical properties of Carbamic acid, N-2-thienyl-, 1,1-dimethylethyl ester are: (1)ACD/LogP: 2.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.34; (4)ACD/LogD (pH 7.4): 3.34; (5)ACD/BCF (pH 5.5): 205.18; (6)ACD/BCF (pH 7.4): 205.18; (7)ACD/KOC (pH 5.5): 1572.65; (8)ACD/KOC (pH 7.4): 1572.65; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 57.78 Å²; (13)Index of Refraction: 1.562; (14)Molar Refractivity: 54.51 cm³; (15)Molar Volume: 167.9 cm³; (16)Polarizability: 21.61×10^-24cm³; (17)Surface Tension: 42.3 dyne/cm; (18)Density: 1.186 g/cm³; (19)Flash Point: 97.8 °C; (20)Enthalpy of Vaporization: 47.5 kJ/mol; (21)Boiling Point: 238.1 °C at 760 mmHg; (22)Vapour Pressure: 0.0432 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)Nc1sccc1
(2)Std. InChI: InChI=1S/C9H13NO2S/c1-9(2,3)12-8(11)10-7-5-4-6-13-7/h4-6H,1-3H3,(H,10,11)
(3)Std. InChIKey: QTXXTRMGTVEBIN-UHFFFAOYSA-N

Product Name

TERT-BUTYL N-(2-THIENYL)CARBAMATE

Carbamic acid, N-2-thienyl-, 1,1-dimethylethyl ester Specification

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