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26723-60-4

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CAS No.: 26723-60-4
Name: 3-Chloro-6,11-dihydro-6-methyldibenzo[c,f][1,2]thiazepin-11-ol 5,5-dioxide
Article Data: 3
Molecular Structure:
Molecular Structure of 26723-60-4 (3-Chloro-6,11-dihydro-6-methyldibenzo[c,f][1,2]thiazepin-11-ol 5,5-dioxide)
Formula: C14H12ClNO3S
Molecular Weight: 309.773
Synonyms: 3-Chloro-6,11-dihydro-5,5-dioxo-11-hydroxy-6-methyldibenzo[c,f][1,2]thiazepine;3-Chloro-6,11-dihydro-6-methyldibenzo(c,f)(1,2)thiazepin-11-ol 5,5-dioxide;
EINECS: 247-944-1
Density: 1.472 g/cm3
Boiling Point: 482.813 °C at 760 mmHg
Flash Point: 245.797 °C
Solubility: 30mg/L at 25℃
PSA: 65.99000
LogP: 3.70600
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The 3-Chloro-6,11-dihydro-6-methyldibenzo[c,f][1,2]thiazepin-11-ol 5,5-dioxide is a chemical with the fomular C14H12ClNO3S. With the CAS registry number 26723-60-4, it is also named as Dibenzo[c,f][1,2]thiazepin-11-ol, 3-chloro-6,11-dihydro-6-methyl-, 5,5-dioxide ; 3-Chloro-6,11-dihydro-5,5-dioxo-11-hydroxy-6-methyldibenzo[c,f][1,2]thiazepine . It is used as pharmaceutical intermediates.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.07 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): 1.07 ; (4)ACD/LogD (pH 7.4): 1.07 ; (5)#H bond acceptors: 4 ; (6)#H bond donors: 1 ; (7)#Freely Rotating Bonds: 1 ; (8)Index of Refraction: 1.66 ; (9)Molar Refractivity: 77.7 cm3 ; (10)Molar Volume: 210.3 cm3 ; (11)Polarizability: 30.8×10-24 cm3 ; (12)Surface Tension: 58.8 dyne/cm ; (13)Enthalpy of Vaporization: 78.77 kJ/mol ; (14)Vapour Pressure: 3.92E-10 mmHg at 25°C. 

People can use the following data to convert to the molecule structure. SMILES: Clc1cc3c(cc1)C(O)c2ccccc2N(C)S3(=O)=O; InChI: InChI=1/C14H12ClNO3S/c1-16-12-5-3-2-4-10(12)14(17)11-7-6-9(15)8-13(11)20(16,18)19/h2-8,14,17H,1H3; InChIKey: KBRSJPHSCOAFDR-UHFFFAOYAD. 3-Chloro-6,11-dihydro-6-methyldibenzo[c,f][1,2]thiazepin-11-ol 5,5-dioxide has many suppliers, such as  Chemik Co., Ltd. and Simagchem Corporation.