Glycine,N-(2-thienylcarbonyl)-, ethyl ester supplier

Name
ETHYL 2-[(2-THIENYLCARBONYL)AMINO]ACETATE
EINECS
CAS No. 39978-25-1
Article Data4
CAS DataBase
Density 1.237 g/cm³
Solubility
Melting Point 89-91 °C
Formula C₉H₁₁NO₃S
Boiling Point 405.1 °C at 760 mmHg
Molecular Weight 213.257
Flash Point 198.8 °C
Transport Information
Appearance
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms N-(2-Thenoyl)glycineethyl ester;N-(2-Thiophenecarbonyl)glycine ethyl ester;
PSA 83.64000
LogP 1.43190

Glycine,N-(2-thienylcarbonyl)-, ethyl ester Specification

The Glycine, N-(2-thienylcarbonyl)-, ethyl ester, with the CAS registry number 39978-25-1, is also known as Ethyl N-(2-thienylcarbonyl)glycinate. This chemical's molecular formula is C₉H₁₁NO₃S and molecular weight is 213.25. What's more, its IUPAC name is Ethyl 2-(thiophene-2-carbonylamino)acetate.

Physical properties about Glycine, N-(2-thienylcarbonyl)-, ethyl ester are: (1)ACD/LogP: 1.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.19; (4)ACD/LogD (pH 7.4): 1.19; (5)ACD/BCF (pH 5.5): 4.74; (6)ACD/BCF (pH 7.4): 4.74; (7)ACD/KOC (pH 5.5): 106; (8)ACD/KOC (pH 7.4): 106; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 74.85 Å²; (13)Index of Refraction: 1.538; (14)Molar Refractivity: 53.93 cm³; (15)Molar Volume: 172.2 cm³; (16)Polarizability: 21.38×10^-24 cm³; (17)Surface Tension: 45.6 dyne/cm; (18)Density: 1.237 g/cm³; (19)Flash Point: 198.8 °C; (20)Enthalpy of Vaporization: 65.67 kJ/mol; (21)Boiling Point: 405.1 °C at 760 mmHg; (22)Vapour Pressure: 8.98E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(NCC(=O)OCC)c1sccc1
(2) InChI: InChI=1/C9H11NO3S/c1-2-13-8(11)6-10-9(12)7-4-3-5-14-7/h3-5H,2,6H2,1H3,(H,10,12)
(3) InChIKey: XXQPNHJALVNVJT-UHFFFAOYAD

Product Name

ETHYL 2-[(2-THIENYLCARBONYL)AMINO]ACETATE

Glycine,N-(2-thienylcarbonyl)-, ethyl ester Specification

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