Name: Name:(2-Benzothiazolylthio)acetic acid
Brand: AABLOCKS
SKU: AA003BIX
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA003BIX

Chemical Name: (2-Benzothiazolylthio)acetic acid

CAS Number: 6295-57-4

Molecular Formula: C9H7NO2S2

Molecular Weight: 225.2874

MDL Number: MFCD00227391

SMILES: OC(=O)CSc1nc2c(s1)cccc2

NSC Number: 11891

Properties

BP: 423.4°C at 760 mmHg

Form: Solid

MP: 159°C

Refractive Index: 1.5364 (estimate)

Storage: Room Temperature;

Complexity: 225

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 14

Hydrogen Bond Acceptor Count: 5

Hydrogen Bond Donor Count: 1

Isotope Atom Count: 0

Rotatable Bond Count: 3

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 2.7

Downstream Synthesis Route

149-30-4

79-11-8

6295-57-4

[1]Bellavita;Vantaggi[AnnalidiChimica,1951,vol.41,p.194,197]

[2]CurrentPatentAssignee:EASTMANKODAKCO-US2819965,1956,A

[3]Etteletal.[ChemickeListy,1952,vol.46,p.756][Chem.Abstr.,1953,p.12358]

[4]Kutscherow[ZhurnalObshcheiKhimii,1949,vol.19,p.752,756,757;engl.Ausg.S.731,736]

[5]CurrentPatentAssignee:ILFORDIMAGINGSWITZERLANDGMBH-US2513923,1948,A

24044-88-0

6295-57-4

[1]Locationinpatent:schemeortableGiesbrecht,HeathE.;Knight,BrianJ.;Tanguileg,NicoleR.;Emerson,ChristopherR.;Blakemore,PaulR.[Synlett,2010,#3,p.374-378]

[2]Ohta;Ohta[NipponKagakuZasshi,1957,vol.78,p.700,703][Chem.Abstr.,1959,p.6217]

[3]Smsek,Rahime;Kelicen;Safak;Akguen;Demirdamar[Pharmazie,1999,vol.54,#3,p.229-231]

[4]CurrentPatentAssignee:CONNEXIOSLIFESCIENCESPVT-WO2013/128465,2013,A1Locationinpatent:Page/Pagecolumn172

[5]CurrentPatentAssignee:CONNEXIOSLIFESCIENCESPVT-US2015/158860,2015,A1Locationinpatent:Paragraph0485

[6]Faraji,Laleh;Shahkarami,Shiva;Nadri,Hamid;Moradi,Alireza;Saeedi,Mina;Foroumadi,Alireza;Ramazani,Ali;Haririan,Ismaeil;Ganjali,MohammadReza;Shafiee,Abbas;Khoobi,Mehdi[JournalofChemicalResearch,2017,vol.41,#1,p.30-35]

6295-57-4

66085-22-1

[1]Potts,K.T.;Choudhury,D.R.[JournalofOrganicChemistry,1978,vol.43,p.2697-2700]

462-08-8

6295-57-4

79420-16-9

[1]Mahmoud;El-Sherief;Abdel-Rahman[EuropeanJournalofMedicinalChemistry,1981,vol.16,#4,p.383-384]

[2]ElSherief;Mahmoud;AbdelRahman;ElNaggar[JournaloftheIndianChemicalSociety,1983,vol.60,#1,p.58-60]

[3]Mir,Fauzia;Shafi,Syed;Zaman;Kalia,NitinPal;Rajput,VikrantS.;Mulakayala,Chaitanya;Mulakayala,Naveen;Khan,InshadA.;Alam[EuropeanJournalofMedicinalChemistry,2014,vol.76,p.274-283]

96-50-4

6295-57-4

79420-09-0

[1]Mahmoud;El-Sherief;Abdel-Rahman[EuropeanJournalofMedicinalChemistry,1981,vol.16,#4,p.383-384]

[2]ElSherief;Mahmoud;AbdelRahman;ElNaggar[JournaloftheIndianChemicalSociety,1983,vol.60,#1,p.58-60]

Literature fold

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology20060501

6295-57-4 | (2-Benzothiazolylthio)acetic acid