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2-Thiophenecarboxylicacid, 3-amino-5-(1,1-dimethylethyl)-, methyl ester

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Name

2-Thiophenecarboxylicacid, 3-amino-5-(1,1-dimethylethyl)-, methyl ester

EINECS N/A
CAS No. 175137-03-8 Density 1.148g/cm3
PSA 80.56000 LogP 2.99560
Solubility N/A Melting Point 94 °C
Formula C10H15NO2S Boiling Point 341.8 °C at 760 mmHg
Molecular Weight 213.301 Flash Point 160.5 °C
Transport Information N/A Appearance N/A
Safety 24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 175137-03-8 (METHYL 3-AMINO-5-(TERT-BUTYL)THIOPHENE-2-CARBOXYLATE) Hazard Symbols IrritantXi
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;

 

2-Thiophenecarboxylicacid, 3-amino-5-(1,1-dimethylethyl)-, methyl ester 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

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