Home Other Building Blocks sodium 2-{thieno[2,3-d]pyrimidin-4-yl}acetate

sodium 2-{thieno[2,3-d]pyrimidin-4-yl}acetate

CAS No.:
1909319-92-1
Catalog Number:
AG01C4SD
Molecular Formula:
C8H5N2NaO2S
Molecular Weight:
216.1923
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Product Description
Catalog Number:
AG01C4SD
Chemical Name:
sodium 2-{thieno[2,3-d]pyrimidin-4-yl}acetate
CAS Number:
1909319-92-1
Molecular Formula:
C8H5N2NaO2S
Molecular Weight:
216.1923
MDL Number:
MFCD29906989
IUPAC Name:
sodium;2-thieno[2,3-d]pyrimidin-4-ylacetate
InChI:
InChI=1S/C8H6N2O2S.Na/c11-7(12)3-6-5-1-2-13-8(5)10-4-9-6;/h1-2,4H,3H2,(H,11,12);/q;+1/p-1
InChI Key:
WOGYFXOYQUSBQV-UHFFFAOYSA-M
SMILES:
[O-]C(=O)Cc1ncnc2c1ccs2.[Na+]
Properties
Complexity:
218  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.997g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.19g/mol
Monoisotopic Mass:
215.997g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
94.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties