5-Benzothiazolesulfonamide,N-(4-chlorophenyl)-2,3-dihydro-2-thioxo- supplier

Name
4'-chloro-2-mercapto-5-benzothiazolesulphonanilide
EINECS 230-856-2
CAS No. 7341-89-1
Density 1.68 g/cm³
Solubility
Melting Point
Formula C₁₃H₉ClN₂O₂S₃
Boiling Point 556.6 °C at 760 mmHg
Molecular Weight 356.878
Flash Point 290.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-Benzothiazolesulfonamide,N-(4-chlorophenyl)-1,3-dihydro-2-thioxo- (9CI);5-Benzothiazolesulfonanilide,4'-chloro-2-mercapto- (7CI,8CI);4'-chloro-2-mercapto-5-benzothiazolesulphonanilide;N-(4-chlorophenyl)-2-thioxo-2,3-dihydro-1,3-benzothiazole-5-sulfonamide;
PSA 134.48000
LogP 5.19300

5-Benzothiazolesulfonamide,N-(4-chlorophenyl)-2,3-dihydro-2-thioxo- Specification

The 5-Benzothiazolesulfonamide,N-(4-chlorophenyl)-2,3-dihydro-2-thioxo-, with the CAS registry number 7341-89-1, is also known as 4'-Chloro-2-mercapto-5-benzothiazolesulphonanilide. Its EINECS number is 230-856-2. This chemical's molecular formula is C₁₃H₉ClN₂O₂S₃ and molecular weight is 356.87. What's more, its systematic name is N-(4-chlorophenyl)-2-thioxo-2,3-dihydro-1,3-benzothiazole-5-sulfonamide.

Physical properties of 5-Benzothiazolesulfonamide,N-(4-chlorophenyl)-2,3-dihydro-2-thioxo- are: (1)ACD/LogP: 3.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.82; (4)ACD/LogD (pH 7.4): 3.63; (5)ACD/BCF (pH 5.5): 468.16; (6)ACD/BCF (pH 7.4): 300.85; (7)ACD/KOC (pH 5.5): 2832.79; (8)ACD/KOC (pH 7.4): 1820.42; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 106.39 Å²; (13)Index of Refraction: 1.792; (14)Molar Refractivity: 90.11 cm³; (15)Molar Volume: 212.2 cm³; (16)Polarizability: 35.72×10^-24 cm³; (17)Surface Tension: 91.7 dyne/cm; (18)Density: 1.68 g/cm³; (19)Flash Point: 290.4 °C; (20)Enthalpy of Vaporization: 83.82 kJ/mol; (21)Boiling Point: 556.6 °C at 760 mmHg; (22)Vapour Pressure: 2E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: Clc1ccc(cc1)NS(=O)(=O)c3cc2c(SC(=S)N2)cc3
(2)InChI: InChI=1/C13H9ClN2O2S3/c14-8-1-3-9(4-2-8)16-21(17,18)10-5-6-12-11(7-10)15-13(19)20-12/h1-7,16H,(H,15,19)
(3)InChIKey: ATOUOYOWYYYGBS-UHFFFAOYAJ

Product Name

4'-chloro-2-mercapto-5-benzothiazolesulphonanilide

5-Benzothiazolesulfonamide,N-(4-chlorophenyl)-2,3-dihydro-2-thioxo- Specification

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