Home Other Building Blocks 3-methyl-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-2,4-dione

3-methyl-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-2,4-dione

CAS No.:
75860-86-5
Catalog Number:
AG01BCJC
Molecular Formula:
C7H6N2O2S
Molecular Weight:
182.1997
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Product Description
Catalog Number:
AG01BCJC
Chemical Name:
3-methyl-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-2,4-dione
CAS Number:
75860-86-5
Molecular Formula:
C7H6N2O2S
Molecular Weight:
182.1997
MDL Number:
MFCD24450322
IUPAC Name:
3-methyl-1H-thieno[2,3-d]pyrimidine-2,4-dione
InChI:
InChI=1S/C7H6N2O2S/c1-9-6(10)4-2-3-12-5(4)8-7(9)11/h2-3H,1H3,(H,8,11)
InChI Key:
OTNVPPORAQUGQB-UHFFFAOYSA-N
SMILES:
Cn1c(=O)[nH]c2c(c1=O)ccs2
Properties
Complexity:
244  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.015g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
182.197g/mol
Monoisotopic Mass:
182.015g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
77.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties