Name: Name:1-Bromo-4-[(2,2-diethoxyethyl)thio]benzene
Brand: AABLOCKS
SKU: AA005SQP
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA005SQP

Chemical Name: 1-Bromo-4-[(2,2-diethoxyethyl)thio]benzene

CAS Number: 96804-05-6

Molecular Formula: C12H17BrO2S

Molecular Weight: 305.2312

MDL Number: MFCD09955275

SMILES: CCOC(CSc1ccc(cc1)Br)OCC

Properties

BP: 344.87°C at 760 mmHg

Form: Liquid

Storage: Keep in dry area;2-8℃;

Complexity: 166

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 16

Hydrogen Bond Acceptor Count: 3

Hydrogen Bond Donor Count: 0

Isotope Atom Count: 0

Rotatable Bond Count: 7

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 3.7

Downstream Synthesis Route

96804-05-6

4923-87-9

[1]JournalofOrganicChemistry,1995,vol.60,p.1936-1938

[2]Phosphorus,SulfurandSiliconandtheRelatedElements,1994,vol.96,p.441-444

[3]Patent:US2006/52378,2006,A1.Locationinpatent:Page/Pagecolumn103

[4]Patent:WO2014/186035,2014,A1.Locationinpatent:Page/Pagecolumn189

[5]JournaloftheChemicalSociety,1956,p.2603,2607

[6]JournaloftheChemicalSociety.PerkintransactionsII,1982,p.1489-1492

106-53-6

2032-35-1

96804-05-6

[1]CurrentPatentAssignee:CURADEVPHARMAPRIVATELTD-WO2014/186035,2014,A1Locationinpatent:Page/Pagecolumn188;189

[2]CurrentPatentAssignee:CURIAINC-US2006/52378,2006,A1Locationinpatent:Page/Pagecolumn103

[3]Amin,HassanB.;Awad,AminA.;Archer,WilliamJ.;Taylor,Roger[JournaloftheChemicalSociety.PerkintransactionsII,1982,p.1489-1492]

[4]Alves;Fulcrand;Berge;etal.[EuropeanJournalofMedicinalChemistry,1986,vol.21,#4,p.297-304]

[5]CurrentPatentAssignee:ABBVIEINC-US2002/169188,2002,A1

[6]Cardoso,MarcosVeríssimodeOliveira;deOliveiraFilho,GevanioBezerra;deSiqueira,LuciannaRabeloPessoa;Espíndola,JoséWanderlanPontes;Silva,ElanyBarbosada;Mendes,AndresaPereiradeOliveira;Pereira,ValériaRêgoAlves;deCastro,MariaCarolinaAcciolyBrelaz;Ferreira,RafaelaSalgado;Villela,FilipeSilva;Costa,FranciellyMoraisRodriguesda;Meira,CássioSantana;Moreira,DiogoRodrigoMagalhães;Soares,MilenaBotelhoPereira;Leite,AnaCristinaLima[EuropeanJournalofMedicinalChemistry,2019,vol.180,p.191-203]

96804-05-6 | 1-Bromo-4-[(2,2-diethoxyethyl)thio]benzene