Home Thiazoles 100393-19-9
100393-19-9,MFCD04969047
Catalog No.:AA0001SJ

100393-19-9 | (5E)-5-(4-Isopropylbenzylidene)-2-mercapto-1,3-thiazol-4(5h)-one

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5g
95%
in stock  
$489.00   $343.00
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Technical Information
Catalog Number:
AA0001SJ
Chemical Name:
(5E)-5-(4-Isopropylbenzylidene)-2-mercapto-1,3-thiazol-4(5h)-one
CAS Number:
100393-19-9
Molecular Formula:
C13H13NOS2
Molecular Weight:
263.3784
MDL Number:
MFCD04969047
SMILES:
CC(c1ccc(cc1)C=C1SC(=S)NC1=O)C
Properties
Computed Properties
 
Complexity:
354  
Covalently-Bonded Unit Count:
1  
Defined Bond Stereocenter Count:
1  
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
3.9  

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SDS
Tags:100393-19-9 Molecular Formula|100393-19-9 MDL|100393-19-9 SMILES|100393-19-9 (5E)-5-(4-Isopropylbenzylidene)-2-mercapto-1,3-thiazol-4(5h)-one