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CAS No.: | 105995-16-2 |
---|---|
Name: | 2-Thienyl-carbamic Acid Ethyl Ester |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C7H9NO2S |
Molecular Weight: | 171.22 |
Synonyms: | Carbamicacid, 2-thienyl-, ethyl ester (9CI);Ethyl N-(2-thienyl)carbamate; |
Density: | 1.269 g/cm3 |
Boiling Point: | 212 °C at 760 mmHg |
Flash Point: | 82 °C |
PSA: | 66.57000 |
LogP: | 2.38950 |
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The Carbamic acid,N-2-thienyl-, ethyl ester, with the CAS registry number 105995-16-2, is also known as Ethyl 2-thienylcarbamate. It belongs to the product category of Heterocycles. This chemical's molecular formula is C7H9NO2S and molecular weight is 171.22. What's more, its systematic name is Ethyl N-(2-thienyl)carbamate.
Physical properties of Carbamic acid,N-2-thienyl-, ethyl ester are: (1)ACD/LogP: 1.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.98; (4)ACD/LogD (pH 7.4): 1.98; (5)#H bond acceptors: 3; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 66.57 Å2; (9)Index of Refraction: 1.586; (10)Molar Refractivity: 45.28 cm3; (11)Molar Volume: 134.8 cm3; (12)Polarizability: 17.95×10-24 cm3; (13)Surface Tension: 47.2 dyne/cm; (14)Density: 1.269 g/cm3; (15)Flash Point: 82 °C; (16)Enthalpy of Vaporization: 44.83 kJ/mol; (17)Boiling Point: 212 °C at 760 mmHg; (18)Vapour Pressure: 0.177 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: CCOC(=O)Nc1cccs1
(2)InChI: InChI=1/C7H9NO2S/c1-2-10-7(9)8-6-4-3-5-11-6/h3-5H,2H2,1H3,(H,8,9)
(3)InChIKey: RRMXNBZSHDZAJJ-UHFFFAOYAW