Hydrobentizide

Base Information

• Chemical Name: Hydrobentizide
• CAS No.: 13957-38-5
• Molecular Formula: C15H16 Cl N3 O4 S3
• Molecular Weight: 433.961
• Hs Code.: 2935009090
• European Community (EC) Number: 237-737-4
• UNII: 1486Y0D5WV
• DSSTox Substance ID: DTXSID50864457
• Nikkaji Number: J8.466B
• Wikidata: Q27251600
• NCI Thesaurus Code: C83762
• ChEMBL ID: CHEMBL2106367
• Mol file: 13957-38-5.mol

Synonyms:Hydrobentizide;Aquazid;dihydrobenzthiazide;Hydrobentizidum;Hydrobenzthiazide;13957-38-5;Idrobentizide [DCIT];Hidrobentizida;Idrobentizide;Hydrobentizide [INN:DCF];Hydrobentizidum [INN-Latin];Hidrobentizida [INN-Spanish];EINECS 237-737-4;BRN 0589256;UNII-1486Y0D5WV;1486Y0D5WV;3-Benzylthiomethyl-6-chloro-7-sulfamyl-3,4-dihydro-1,2,4-benzothiadiazine 1,1-dioxide;2H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-3,4-dihydro-3-(((phenylmethyl)thio)methyl)-, 1,1-dioxide;3-((Benzylthio)methyl)-6-chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide;6-Chloro-3,4-dihydro-3-(((phenylmethyl)thio)methyl)-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide;2H-1,2,4-Benzothiadiazine-7-sulfonamide, 3-((benzylthio)methyl)-6-chloro-3,4-dihydro-, 1,1-dioxide;3-(benzylsulfanylmethyl)-6-chloro-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide;2H-1,2,4-Benzothiadiazine-7-sulfonamide, 3-[(benzylthio)methyl]-6-chloro-3,4-dihydro-, 1,1-dioxide;2H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-3,4-dihydro-3-[[(phenylmethyl)thio]methyl]-, 1,1-dioxide;Hydrobentizide [DCF:INN];HYDROBENTIZIDE [INN];C15H16ClN3O4S3;SCHEMBL564232;HYDROBENTIZIDE [WHO-DD];CHEMBL2106367;DTXSID50864457;C15-H16-Cl-N3-O4-S3;LS-40453;Q27251600;3-[(Benzylsulfanyl)methyl]-6-chloro-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazine-7-sulfonamide;3-[(benzylsulfanyl)methyl]-6-chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide;6-Chloro-1,1-dioxo-3-(phenylmethylsulfanylmethyl)-3,4-dihydro-2H-benzo[e][1,2,4]thiadiazine-7-sulfonamide

Chemical Property of Hydrobentizide

Chemical Property:

• Vapor Pressure: 4.48E-18mmHg at 25°C
• Boiling Point: 674.9°C at 760 mmHg
• Flash Point: 362°C
• PSA: 160.42000
• Density: 1.506g/cm³
• LogP: 5.27940
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 432.9991472
• Heavy Atom Count: 26
• Complexity: 686

Purity/Quality:

98%Min ^*data from raw suppliers

3-[(BENZYLSULFANYL)METHYL]-6-CHLORO-3,4-DIHYDRO-2H-1,2,4-BENZOTHIADIAZINE-7-SULFONAMIDE 1,1-DIOXIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CSCC2NC3=CC(=C(C=C3S(=O)(=O)N2)S(=O)(=O)N)Cl

Technology Process of Hydrobentizide

There total 2 articles about Hydrobentizide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

chloraminophenamide (121-30-2) + [(2,2-diethoxyethyl)sulfanylmethyl]benzene (91905-68-9) → benzthiazide (13957-38-5)

Guidance literature:

With hydrogenchloride; In diethylene glycol dimethyl ether; Heating;

Reference yield:

→ benzthiazide (13957-38-5)

Guidance literature:

4-Amino-6-chlor-m-benzoldisulfamid (I), entspr. Aldehyd.;

upstream raw materials:

chloraminophenamide

[(2,2-diethoxyethyl)sulfanylmethyl]benzene