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35357-56-3

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Basic Information
CAS No.: 35357-56-3
Name: 6H-THIENO[2,3-B]PYRROLE-5-CARBOXYLIC ACID ETHYL ESTER
Article Data: 13
Molecular Structure:
Molecular Structure of 35357-56-3 (6H-THIENO[2,3-B]PYRROLE-5-CARBOXYLIC ACID ETHYL ESTER)
Formula: C9H9NO2S
Molecular Weight: 195.24
Synonyms: ETHYL 6H-THIENO[2,3-B]PYRROLE-5-CARBOXYLATE;6H-THIENO[2,3-B]PYRROLE-5-CARBOXYLIC ACID ETHYL ESTER;6H-THIENO[2,3-B]PYRROLE-5-CARBOXYLIC ACID ETHYL ES
Density: 1.34 g/cm3
Melting Point: 120 °C
Boiling Point: 345.671 °C at 760 mmHg
Flash Point: 162.856 °C
PSA: 70.33000
LogP: 2.40610
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Specification

This chemical is called Ethyl 6H-thieno[2,3-b]pyrrole-5-carboxylate, and its CAS registry number is 35357-56-3. With the molecular formula of C9H9NO2S, its molecular weight is 195.24.

Other characteristics of the Ethyl 6H-thieno[2,3-b]pyrrole-5-carboxylate can be summarised as followings: (1)ACD/LogP: 2.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 683; (6)ACD/BCF (pH 7.4): 683; (7)ACD/KOC (pH 5.5): 3721; (8)ACD/KOC (pH 7.4): 3721; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 70.33 Å2; (13)Index of Refraction: 1.652; (14)Molar Refractivity: 53.319 cm3; (15)Molar Volume: 145.751 cm3; (16)Polarizability: 21.137×10-24cm3; (17)Surface Tension: 55.885 dyne/cm; (18)Density: 1.34 g/cm3; (19)Flash Point: 162.856 °C; (20)Enthalpy of Vaporization: 58.976 kJ/mol; (21)Boiling Point: 345.671 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: O=C(OCC)c2cc1c(scc1)n2
2.InChI: InChI=1/C9H9NO2S/c1-2-12-9(11)7-5-6-3-4-13-8(6)10-7/h3-5,10H,2H2,1H3
3.InChIKey: KRPJGLCVEYTVBW-UHFFFAOYAT