CAS No.169759-79-9,METHYL 3-AMINO-5-(THIEN-2-YL)THIOPHENE-2-CARBOXYLATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	169759-79-9
Name:	METHYL 3-AMINO-5-(THIEN-2-YL)THIOPHENE-2-CARBOXYLATE
Article Data:	4

Formula:	C₁₀H₉NO₂S₂
Molecular Weight:	239.319
Synonyms:	Methyl 4-Amino-2,2'-bithiophene-5-carboxylate;methyl 3-amino-5-(2-thienyl)-2-thiophenecarboxylate;4-Amino-[2,2'-Bithiophene]-5-carboxylic Acid Methyl Ester;methyl 3-amino-5-(thien-2-yl)-2-thiophenecarboxylate;Methyl 3-amino-5-(thien-2-yl)thiophene-2-carboxylate;
Density:	1.376 g/cm³
Boiling Point:	444.7 °C at 760 mmHg
Flash Point:	222.7 °C
PSA:	108.80000
LogP:	3.42660

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Specification

The [2,2'-Bithiophene]-5-carboxylicacid, 4-amino-, methyl ester, with CAS registry number 169759-79-9, has the systematic name of methyl 4-amino-2,2'-bithiophene-5-carboxylate. Besides this, it is also called Methyl 3-amino-5-(thien-2-yl)thiophene-2-carboxylate. And the chemical formula of this chemical is C₁₀H₉NO₂S₂.

Physical properties of [2,2'-Bithiophene]-5-carboxylicacid, 4-amino-, methyl ester: (1)ACD/LogP: 3.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.33; (4)ACD/LogD (pH 7.4): 3.33; (5)ACD/BCF (pH 5.5): 198.88; (6)ACD/BCF (pH 7.4): 198.89; (7)ACD/KOC (pH 5.5): 1537.9; (8)ACD/KOC (pH 7.4): 1538.02; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 86.02 Å²; (13)Index of Refraction: 1.652; (14)Molar Refractivity: 63.62 cm³; (15)Molar Volume: 173.8 cm³; (16)Polarizability: 25.22×10^-24cm³; (17)Surface Tension: 56.9 dyne/cm; (18)Density: 1.376 g/cm³; (19)Flash Point: 222.7 °C; (20)Enthalpy of Vaporization: 70.25 kJ/mol; (21)Boiling Point: 444.7 °C at 760 mmHg; (22)Vapour Pressure: 4.2E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c2sc(c1sccc1)cc2N
(2)InChI: InChI=1/C10H9NO2S2/c1-13-10(12)9-6(11)5-8(15-9)7-3-2-4-14-7/h2-5H,11H2,1H3
(3)InChIKey: CFHYAXQWEYGRTM-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C10H9NO2S2/c1-13-10(12)9-6(11)5-8(15-9)7-3-2-4-14-7/h2-5H,11H2,1H3
(5)Std. InChIKey: CFHYAXQWEYGRTM-UHFFFAOYSA-N