CAS No.175137-03-8,METHYL 3-AMINO-5-(TERT-BUTYL)THIOPHENE-2-CARBOXYLATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	175137-03-8
Name:	METHYL 3-AMINO-5-(TERT-BUTYL)THIOPHENE-2-CARBOXYLATE

Formula:	C₁₀H₁₅NO₂S
Molecular Weight:	213.301
Synonyms:	3-Amino-5-tert-butylthiophene-2-carboxylicacid methyl ester;Methyl 3-amino-5-tert-butyl-2-thiophenecarboxylate;Methyl5-tert-butyl-3-aminothiophene-2-carboxylate;
Density:	1.148g/cm³
Melting Point:	94 °C
Boiling Point:	341.8 °C at 760 mmHg
Flash Point:	160.5 °C
Hazard Symbols:	Xi
Safety:	24/25
PSA:	80.56000
LogP:	2.99560

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- China (Mainland)(21)
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Specification

The 2-Thiophenecarboxylicacid, 3-amino-5-(1,1-dimethylethyl)-, methyl ester, with CAS registry number 175137-03-8, has the systematic name of methyl 3-amino-5-tert-butylthiophene-2-carboxylate. This chemical may cause inflammation to the skin or other mucous membranes. When use this chemical, avoid contact with skin and eyes. And the chemical formula of this chemical is C₁₀H₁₅NO₂S.

Physical properties of 2-Thiophenecarboxylicacid, 3-amino-5-(1,1-dimethylethyl)-, 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): 199.72; (6)ACD/BCF (pH 7.4): 199.78; (7)ACD/KOC (pH 5.5): 1542.46; (8)ACD/KOC (pH 7.4): 1542.92; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 57.78 Å²; (13)Index of Refraction: 1.548; (14)Molar Refractivity: 59.03 cm³; (15)Molar Volume: 185.7 cm³; (16)Polarizability: 23.4×10^-24cm³; (17)Surface Tension: 40.6 dyne/cm; (18)Density: 1.148 g/cm³; (19)Flash Point: 160.5 °C; (20)Enthalpy of Vaporization: 58.55 kJ/mol; (21)Boiling Point: 341.8 °C at 760 mmHg; (22)Vapour Pressure: 7.87E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c1sc(cc1N)C(C)(C)C
(2)InChI: InChI=1/C10H15NO2S/c1-10(2,3)7-5-6(11)8(14-7)9(12)13-4/h5H,11H2,1-4H3
(3)InChIKey: WHJBGOQJMFAKHY-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C10H15NO2S/c1-10(2,3)7-5-6(11)8(14-7)9(12)13-4/h5H,11H2,1-4H3
(5)Std. InChIKey: WHJBGOQJMFAKHY-UHFFFAOYSA-N