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159730-73-1

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Basic Information
CAS No.: 159730-73-1
Name: Ethyl 6-methyl-5-nitrobenzo[b]thiophene-2-carboxylate
Article Data: 2
Molecular Structure:
Molecular Structure of 159730-73-1 (Ethyl 6-methyl-5-nitrobenzo[b]thiophene-2-carboxylate)
Formula: C12H11NO4S
Molecular Weight: 265.29
Synonyms: Ethyl6-methyl-5-nitrobenzo[b]thiophene-2-carboxylate;
Density: 1.356g/cm3
Boiling Point: 409.608 °C at 760 mmHg
Flash Point: 201.524 °C
PSA: 100.36000
LogP: 3.81780
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  • Benzo[b]thiophene-2-carboxylicacid, 6-methyl-5-nitro-, ethyl ester

  • Casno:

    159730-73-1

    Benzo[b]thiophene-2-carboxylicacid, 6-methyl-5-nitro-, ethyl ester

    Min.Order: 10 Gram

    FOB Price:  USD $ 0.0-0.0

    Zibo Hangyu Biotechnology Development Co., Ltd is a leading manufacturer and supplier of chemicals in China. We develop produce and distribute high quality pharmaceuticals, intermediates, special chemicals and OLED intermediates and other fine chemi

    Hangyu Biotech is a leading manufacturer and supplier of chemicals in China. We develop produce and distribute high quality pharmaceuticals, intermediates, special chemicals and O

  •  Zibo Hangyu Biotechnology Development Co., Ltd

    China (Mainland)  |  Contact Details

    Business Type:Lab/Research institutions

    Tel:86-15965530500

    Address:Room1701, Tianxing Building,Licheng district, jinan, Shandong, China

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Specification

The Ethyl 6-methyl-5-nitrobenzo[b]thiophene-2-carboxylate, with cas registry number 159730-73-1, has the systematic name of ethyl 6-methyl-5-nitro-benzothiophene-2-carboxylate. And it is also named benzo[b]thiophene-2-carboxylic acid, 6-methyl-5-nitro-, ethyl ester.

Physical properties about this chemical are: (1)ACD/LogP: 3.55; (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): 532; (6)ACD/BCF (pH 7.4): 532; (7)ACD/KOC (pH 5.5): 3109; (8)ACD/KOC (pH 7.4): 3109; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 100.36 Å2; (13)Index of Refraction: 1.638; (14)Molar Refractivity: 70.256 cm3; (15)Molar Volume: 195.545 cm3; (16)Polarizability: 27.852×10-24cm3; (17)Surface Tension: 54.796 dyne/cm; (18)Enthalpy of Vaporization: 66.181 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: CCOC(=O)c1cc2cc(c(cc2s1)C)[N+](=O)[O-]
(2)InChI: InChI=1/C12H11NO4S/c1-3-17-12(14)11-6-8-5-9(13(15)16)7(2)4-10(8)18-11/h4-6H,3H2,1-2H3
(3)InChIKey: KXVNMLGGASMUOZ-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C12H11NO4S/c1-3-17-12(14)11-6-8-5-9(13(15)16)7(2)4-10(8)18-11/h4-6H,3H2,1-2H3
(5)Std. InChIKey: KXVNMLGGASMUOZ-UHFFFAOYSA-N