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6590-95-0,MFCD00041056
Catalog No.:AA003G0W

6590-95-0 | 1,3-Dichloro-2-isothiocyanatobenzene

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Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$18.00   $13.00
- +
5g
95%
in stock  
$48.00   $34.00
- +
25g
95%
in stock  
$143.00   $100.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003G0W
Chemical Name:
1,3-Dichloro-2-isothiocyanatobenzene
CAS Number:
6590-95-0
Molecular Formula:
C7H3Cl2NS
Molecular Weight:
204.0764
MDL Number:
MFCD00041056
SMILES:
S=C=Nc1c(Cl)cccc1Cl
Properties
Properties
 
Form:
Solid  
Storage:
Inert atmosphere;2-8℃;  

Computed Properties
 
Complexity:
169  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Rotatable Bond Count:
1  
XLogP3:
4.6  

Downstream Synthesis Route
6590-95-0    498-63-5   
(2,6-dichloro-phenyl)-(tetrahydro-pyrrolo1,2-<i>c</i>thiazol-3-ylidene)-amine 

[1]IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,1976,vol.14B,p.770-772

[1]Jen,T.etal.[JournalofMedicinalChemistry,1975,vol.18,p.90-99]

[2]Han,Lei;Gan,LinLing;Hu,Xiangnan;Li,Wei;Zhu,Dali;Zheng,Jiecheng;Wu,Yue;Yu,Yu;Gan,Zongjie[SyntheticCommunications,2022,vol.52,#7,p.1050-1058]

[1]Muthukaman,Nagarajan;Tambe,Macchindra;Deshmukh,Sanjay;Pisal,Dnyandeo;Tondlekar,Shital;Shaikh,Mahamadhanif;Sarode,Neelam;Kattige,VidyaG.;Pisat,Monali;Sawant,Pooja;Honnegowda,Srinivasa;Karande,Vikas;Kulkarni,Abhay;Behera,Dayanidhi;Jadhav,SatyawanB.;Sangana,RamchandraR.;Gudi,GirishS.;Khairatkar-Joshi,Neelima;Gharat,LaxmikantA.[BioorganicandMedicinalChemistryLetters,2017,vol.27,#23,p.5131-5138]

[2]Jen,T.etal.[JournalofMedicinalChemistry,1975,vol.18,p.90-99]

[3]Yoshiizumi,Kazuya;Ikeda,Shoji;Goto,Katsumi;Morita,Tominori;Nishimura,Noriyasu;Sukamoto,Takayuki;Yoshino,Kohichiro[ChemicalandPharmaceuticalBulletin,1996,vol.44,#11,p.2042-2050]

[4]CurrentPatentAssignee:QILUPHARMACEUTICALGROUPCOLTD-CN112341431,2021,ALocationinpatent:Paragraph0279-0283

[1]Kim,JaeNyoung;Ryu,EungK.[TetrahedronLetters,1993,vol.34,#51,p.8283-8284]

[1]Tilley.JeffersonW.;Levitan,Paul;Kierstead,RichardW.;Cohen,Michael[JournalofMedicinalChemistry,1980,vol.23,#12,p.1387-1392]

[2]Heinelt,Uwe;Schultheis,Daniela;Jäger,Siegfried;Lindenmaier,Marion;Pollex,Annett;Beckmann,HenningS.G.[Tetrahedron,2004,vol.60,#44,p.9883-9888]

[3]CurrentPatentAssignee:SANOFI-US2004/242560,2004,A1Locationinpatent:Page/Pagecolumn13

Literature
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SDS
Tags:6590-95-0 Molecular Formula|6590-95-0 MDL|6590-95-0 SMILES|6590-95-0 1,3-Dichloro-2-isothiocyanatobenzene