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112672-69-2,MFCD01116826
Catalog No.:AA0081UT

112672-69-2 | [(4-Oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)thio]acetic acid

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Technical Information
Catalog Number:
AA0081UT
Chemical Name:
[(4-Oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)thio]acetic acid
CAS Number:
112672-69-2
Molecular Formula:
C12H12N2O3S2
Molecular Weight:
296.3653
MDL Number:
MFCD01116826
SMILES:
OC(=O)CSc1nc2sc3c(c2c(=O)[nH]1)CCCC3
Properties
Computed Properties
 
Complexity:
441  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
3  
XLogP3:
2.5  

Literature
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Additional Info:
SDS
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Tags:112672-69-2 Molecular Formula|112672-69-2 MDL|112672-69-2 SMILES|112672-69-2 [(4-Oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)thio]acetic acid