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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

This product is typically in stock,please click "Inquire" below or
contact us at [email protected] for pricing and availability information.
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
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  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.5  

Literature
Quotation Request
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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
Catalog No.: AA0081UT
112672-69-2,MFCD01116826
112672-69-2 | [(4-Oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)thio]acetic acid
This product is typically in stock,please click "Inquire" below or contact us at [email protected]for pricing and availability information.
Inquire
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
Complexity: 441  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 19  
Hydrogen Bond Acceptor Count: 6  
Hydrogen Bond Donor Count: 2  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.5  
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