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

Name
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
Article Data4
CAS DataBase
Density 1.54 g/cm³
Solubility
Melting Point
Formula C₁₄H₁₁Cl₂NO₂S
Boiling Point 445.3 °C at 760mmHg
Molecular Weight 328.219
Flash Point 223.1 °C
Transport Information
Appearance White to light yellow crystalline powder
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 45.76000
LogP 4.95250

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.

Product Name

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

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

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