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478246-90-1,MFCD01815274
Catalog No.:AA00IVZQ

478246-90-1 | 3-({9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-yl}sulfanyl)butan-2-one

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Technical Information
Catalog Number:
AA00IVZQ
Chemical Name:
3-({9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-yl}sulfanyl)butan-2-one
CAS Number:
478246-90-1
Molecular Formula:
C16H16N2OS2
Molecular Weight:
316.4410
MDL Number:
MFCD01815274
SMILES:
CC(=O)C(Sc1ncc2c(n1)c1cc(C)ccc1SC2)C
Properties
Computed Properties
 
Complexity:
393  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
5  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
1  
XLogP3:
3.3  

Literature
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Additional Info:
SDS
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Tags:478246-90-1 Molecular Formula|478246-90-1 MDL|478246-90-1 SMILES|478246-90-1 3-({9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-yl}sulfanyl)butan-2-one