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3,11-Dichloro-6,11-dihydro-6-methyldibenzo[c,f][1,2]thiazepine 5,5-dioxide

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3,11-Dichloro-6,11-dihydro-6-methyldibenzo[c,f][1,2]thiazepine 5,5-dioxide

EINECS 247-866-8
CAS No. 26638-66-4 Density 1.54 g/cm3
PSA 45.76000 LogP 4.95250
Solubility N/A Melting Point N/A
Formula C14H11Cl2NO2S Boiling Point 445.3 °C at 760mmHg
Molecular Weight 328.219 Flash Point 223.1 °C
Transport Information N/A Appearance White to light yellow crystalline powder
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 26638-66-4 (3,11-Dichloro-6,11-dihydro-6-methyldibenzo[c,f][1,2]thiazepine 5,5-dioxide) Hazard Symbols N/A
Synonyms

3,11-Dichloro-6,11-dihydro-6-methyl-5,5-dioxodibenzo[c,f][1,2]thiazepine;5,8-Dichloro-11-methyldibenzo[c,f]thiazepine 10,10-dioxide;

Article Data 4

3,11-Dichloro-6,11-dihydro-6-methyldibenzo[c,f][1,2]thiazepine 5,5-dioxide Specification

The systematic name of Dibenzo[c,f][1,2]thiazepine,3,11-dichloro-6,11-dihydro-6-methyl-, 5,5-dioxide is 3,11-dichloro-6-methyl-6,11-dihydrodibenzo[c,f][1,2]thiazepine 5,5-dioxide . With the CAS registry number 26638-66-4, it is also named as 3,11-Dichloro-6,11-dihydro-5,5-dioxo-11-hydroxy-6-methyldibenzo[c.f][1,2]thiazepine ; rac 3,11-Dichloro-6,11-dihydro-6-methyl-dibenzo[c,f][1,2]thiazepine 5,5-Dioxide .It is white to light yellow crystalline powder which should be strored at normal temperature and avoid direct sunshine. This product is used as Tianeptine intermediates.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.57 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): 2.57 ; (4)ACD/LogD (pH 7.4): 2.57 ; (5)ACD/BCF (pH 5.5): 52.84 ; (6)ACD/BCF (pH 7.4): 52.84 ; (7)ACD/KOC (pH 5.5): 595.54 ; (8)ACD/KOC (pH 7.4): 595.54 ; (9)#H bond acceptors: 3 ; (10)#H bond donors: 0 ; (11)Index of Refraction: 1.686 ; (12)Molar Refractivity: 81 cm3 ; (13)Molar Volume: 212.7 cm3 ; (14)Polarizability: 32.11×10-24 cm3 ; (15)Surface Tension: 65.2 dyne/cm ; (16)Enthalpy of Vaporization: 70.33 kJ/mol ; (17)Vapour Pressure: 3.99E-08 mmHg at 25°C.

People can use the following data to convert to the molecule structure. SMILES: Clc1cc3c(cc1)C(Cl)c2ccccc2N(C)S3(=O)=O; InChI: InChI=1/C14H11Cl2NO2S/c1-17-12-5-3-2-4-10(12)14(16)11-7-6-9(15)8-13(11)20(17,18)19/h2-8,14H,1H3; InChIKey: FHICZIHQHGRZLE-UHFFFAOYAD. The Dibenzo[c,f][1,2]thiazepine,3,11-dichloro-6,11-dihydro-6-methyl-, 5,5-dioxide has many suppliers, such as  Chemik Co., Ltd. and Ningbo Inno Pharmchem Co., Ltd.. The price of this product changes with the market.

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