CAS No.26638-66-4,3,11-Dichloro-6,11-dihydro-6-methyldibenzo[c,f][1,2]thiazepine 5,5-dioxide Suppliers

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Basic Information

Molecular Structure:
CAS No.:	26638-66-4
Name:	3,11-Dichloro-6,11-dihydro-6-methyldibenzo[c,f][1,2]thiazepine 5,5-dioxide
Article Data:	4

Formula:	C₁₄H₁₁Cl₂NO₂S
Molecular Weight:	328.219
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;
EINECS:	247-866-8
Density:	1.54 g/cm³
Boiling Point:	445.3 °C at 760mmHg
Flash Point:	223.1 °C
Appearance:	White to light yellow crystalline powder
PSA:	45.76000
LogP:	4.95250

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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.