Home Amines 478040-77-6
478040-77-6,MFCD02186221
Catalog No.:AA00IOQ7

478040-77-6 | (3E)-4-[(1,3-benzothiazol-2-yl)amino]-1,1,1-trifluorobut-3-en-2-one

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Technical Information
Catalog Number:
AA00IOQ7
Chemical Name:
(3E)-4-[(1,3-benzothiazol-2-yl)amino]-1,1,1-trifluorobut-3-en-2-one
CAS Number:
478040-77-6
Molecular Formula:
C11H7F3N2OS
Molecular Weight:
272.2463
MDL Number:
MFCD02186221
SMILES:
O=C(C(F)(F)F)/C=C/Nc1nc2c(s1)cccc2
Properties
Computed Properties
 
Complexity:
346  
Covalently-Bonded Unit Count:
1  
Defined Bond Stereocenter Count:
1  
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
XLogP3:
4.2  

Literature
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SDS
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Tags:478040-77-6 Molecular Formula|478040-77-6 MDL|478040-77-6 SMILES|478040-77-6 (3E)-4-[(1,3-benzothiazol-2-yl)amino]-1,1,1-trifluorobut-3-en-2-one