Home Amines 380442-79-5
380442-79-5,MFCD03476819
Catalog No.:AA00C6Q0

380442-79-5 | Ethyl 5-amino-2-phenyl-3-thioxo-2,3-dihydroisothiazole-4-carboxylate

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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00C6Q0
Chemical Name:
Ethyl 5-amino-2-phenyl-3-thioxo-2,3-dihydroisothiazole-4-carboxylate
CAS Number:
380442-79-5
Molecular Formula:
C12H12N2O2S2
Molecular Weight:
280.3659
MDL Number:
MFCD03476819
SMILES:
CCOC(=O)c1c(N)sn(c1=S)c1ccccc1
Properties
Computed Properties
 
Complexity:
390  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
4  
XLogP3:
2.7  

Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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 Cytology 20060501

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Tags:380442-79-5 Molecular Formula|380442-79-5 MDL|380442-79-5 SMILES|380442-79-5 Ethyl 5-amino-2-phenyl-3-thioxo-2,3-dihydroisothiazole-4-carboxylate