Home Other Building Blocks 3-ALLYL-5,6-DIMETHYL-2-THIOXO-2,3-DIHYDROTHIENO[2,3-D]PYRIMIDIN-4(1H)-ONE

3-ALLYL-5,6-DIMETHYL-2-THIOXO-2,3-DIHYDROTHIENO[2,3-D]PYRIMIDIN-4(1H)-ONE

CAS No.:
51486-16-9
Catalog Number:
AG00DIFT
Molecular Formula:
C11H12N2OS2
Molecular Weight:
252.3558
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Product Description
Catalog Number:
AG00DIFT
Chemical Name:
3-ALLYL-5,6-DIMETHYL-2-THIOXO-2,3-DIHYDROTHIENO[2,3-D]PYRIMIDIN-4(1H)-ONE
CAS Number:
51486-16-9
Molecular Formula:
C11H12N2OS2
Molecular Weight:
252.3558
MDL Number:
MFCD02249856
IUPAC Name:
5,6-dimethyl-3-prop-2-enyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
InChI:
InChI=1S/C11H12N2OS2/c1-4-5-13-10(14)8-6(2)7(3)16-9(8)12-11(13)15/h4H,1,5H2,2-3H3,(H,12,15)
InChI Key:
UIDZXXIBHNLIGD-UHFFFAOYSA-N
SMILES:
C=CCn1c(=S)[nH]c2c(c1=O)c(C)c(s2)C
Properties
Complexity:
345  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.039g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
252.35g/mol
Monoisotopic Mass:
252.039g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
92.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties