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2-Acetyl-3-amino-5-tert-butylthiophene

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Name

2-Acetyl-3-amino-5-tert-butylthiophene

EINECS N/A
CAS No. 175137-06-1 Density 1.099 g/cm3
PSA 71.33000 LogP 3.41160
Solubility N/A Melting Point N/A
Formula C10H15NOS Boiling Point 329.4 °C at 760 mmHg
Molecular Weight 197.3 Flash Point 153 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 175137-06-1 (2-ACETYL-3-AMINO-5-T-BUTYLTHIOPHENE) Hazard Symbols IrritantXi
Synonyms

2-Acetyl-3-amino-5-tert-butylthiophene;

 

2-Acetyl-3-amino-5-tert-butylthiophene Specification

The cas register number of 2-Acetyl-3-amino-5-tert-butylthiophene is 175137-06-1. It also can be called as Ethanone,1-[3-amino-5-(1,1-dimethylethyl)-2-thienyl]- and the IUPAC Name about this chemical is 1-(3-amino-5-tert-butylthiophen-2-yl)ethanone. It belongs to the Thiophene&Benzothiophene.

Physical properties about 2-Acetyl-3-amino-5-tert-butylthiophene are: (1)ACD/LogP: 2.90; (2)ACD/LogD (pH 5.5): 2.9; (3)ACD/LogD (pH 7.4): 2.9; (4)ACD/BCF (pH 5.5): 93.55; (5)ACD/BCF (pH 7.4): 93.59; (6)ACD/KOC (pH 5.5): 896.29; (7)ACD/KOC (pH 7.4): 896.62; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 48.55Å2; (12)Index of Refraction: 1.551; (13)Molar Refractivity: 57.28 cm3; (14)Molar Volume: 179.4 cm3; (15)Polarizability: 22.71x10-24cm3; (16)Surface Tension: 39.3 dyne/cm; (17)Enthalpy of Vaporization: 57.19 kJ/mol; (18)Boiling Point: 329.4 °C at 760 mmHg; (19)Vapour Pressure: 0.000178 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1sc(cc1N)C(C)(C)C)C
(2)InChI: InChI=1/C10H15NOS/c1-6(12)9-7(11)5-8(13-9)10(2,3)4/h5H,11H2,1-4H3
(3)InChIKey: RBLSJHKIPYUAAF-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C10H15NOS/c1-6(12)9-7(11)5-8(13-9)10(2,3)4/h5H,11H2,1-4H3
(5)Std. InChIKey: RBLSJHKIPYUAAF-UHFFFAOYSA-N

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