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536-17-4,MFCD04969049
Catalog No.:AA00I9HF

536-17-4 | (5E)-5-[4-(Dimethylamino)benzylidene]-2-mercapto-1,3-thiazol-4(5h)-one

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92% +(isomers mixture)
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92% +(isomers mixture)
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92% +(isomers mixture)
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00I9HF
Chemical Name:
(5E)-5-[4-(Dimethylamino)benzylidene]-2-mercapto-1,3-thiazol-4(5h)-one
CAS Number:
536-17-4
Molecular Formula:
C12H12N2OS2
Molecular Weight:
264.3665
MDL Number:
MFCD04969049
SMILES:
CN(c1ccc(cc1)/C=C\1/SC(=NC1=O)S)C
NSC Number:
5042
Properties
Computed Properties
 
Complexity:
358  
Covalently-Bonded Unit Count:
1  
Defined Bond Stereocenter Count:
1  
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
2.9  

Downstream Synthesis Route

[1]Locationinpatent:experimentalpartShah,Sakshi;Singh,Baldev[BioorganicandMedicinalChemistryLetters,2012,vol.22,#17,p.5388-5391]

[2]Locationinpatent:experimentalpartAlizadeh,Abdolhamid;Khodaei,MohammadM.;Eshghi,Ali[CanadianJournalofChemistry,2010,vol.88,#6,p.514-518]

[3]Salem,ManarG.;AbdelAziz,YasmineM.;Elewa,Marwa;Nafie,MohamedS.;Elshihawy,HosamA.;Said,MohamedM.[BioorganicChemistry,2021,vol.111]

[4]Locationinpatent:experimentalpartGong,Kai;He,Zhi-Wei;Xu,Ying;Fang,Dong;Liu,Zu-Liang[MonatsheftefurChemie,2008,vol.139,#8,p.913-915]

[5]Locationinpatent:experimentalpartWang,Hongshe;Zeng,June[JournalofChemicalResearch,2009,#6,p.374-376]

[6]Veisi,Hojat;Naeimi,Alireza;Maleki,Behrooz;Ashrafi,SamanehSedigh;Sedrpoushan,Alireza[OrganicPreparationsandProceduresInternational,2015,vol.47,#4,p.1-7]

[7]Khazaei,Ardeshir;Veisi,Hojat;Safaei,Maryam;Ahmadian,Hossein[JournalofSulfurChemistry,2014,vol.35,#3,p.270-278]

[8]Zhou,Jian-Feng;Song,Yuan-Zhi;Zhu,Feng-Xia;Zhu,Yu-Lan[SyntheticCommunications,2006,vol.36,#22,p.3297-3303]

[9]Zheng,Qingdong;Yao,Zuguang;Cheng,Jiqi;Shen,Yaochun;Lu,Zuhong[ChemistryLetters,2000,#12,p.1426-1427]

[10]Andreasch;Zipser[MonatsheftefurChemie,1905,vol.26,p.1193]

[11]Bargellini[AttidellaAccademiaNazionaledeiLincei,ClassediScienzeFisiche,MatematicheeNaturali,Rendiconti,1906,vol.<5>15I,p.185][GazzettaChimicaItaliana,1906,vol.36II,p.142]

[12]Lapiere[JournaldePharmaciedeBelgique,<NS>11<1956>3,5,6]

[13]Yaremenko,F.G.etal.[ChemistryofHeterocyclicCompounds,1977,vol.13,p.1190-1194][KhimiyaGeterotsiklicheskikhSoedinenii,1977,vol.13,#11,p.1490-1494]

[14]Ginak,A.I.etal.[JournalofOrganicChemistryUSSR(EnglishTranslation),1971,vol.7,p.1552-1554][ZhurnalOrganicheskoiKhimii,1971,vol.7,p.1500-1502]

[15]Sun,Zhi-Gang;Xu,Yun-Jie;Xu,Jian-Fei;Liu,Qi-Xing;Yang,Yu-Shun;Zhu,Hai-Liang[ChemicalandPharmaceuticalBulletin,2019,vol.67,#2,p.125-129]

[1]Behringeretal.[ChemischeBerichte,1958,vol.91,p.2773,2783]

[1]Bhargava;Kulyadi[1958,vol.1,p.29,31]

[1]Ginak,A.I.etal.[JournalofOrganicChemistryUSSR(EnglishTranslation),1970,vol.6,p.1747-1749][ZhurnalOrganicheskoiKhimii,1970,vol.6,p.1744-1746]

[1]Nederlof,A.[RecueildesTravauxChimiquesdesPays-Bas,1963,vol.82,p.75-89]

Literature
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SDS
Tags:536-17-4 Molecular Formula|536-17-4 MDL|536-17-4 SMILES|536-17-4 (5E)-5-[4-(Dimethylamino)benzylidene]-2-mercapto-1,3-thiazol-4(5h)-one |Heterocyclic_Building_Blocks |Organic_Building_Blocks