Home Halogens Ethyl 4-chlorothieno[2,3-d]pyrimidine-6-carboxylate

Ethyl 4-chlorothieno[2,3-d]pyrimidine-6-carboxylate

CAS No.:
596794-91-1
Catalog Number:
AG003QAH
Molecular Formula:
C9H7ClN2O2S
Molecular Weight:
242.6821
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Product Description
Catalog Number:
AG003QAH
Chemical Name:
Ethyl 4-chlorothieno[2,3-d]pyrimidine-6-carboxylate
CAS Number:
596794-91-1
Molecular Formula:
C9H7ClN2O2S
Molecular Weight:
242.6821
MDL Number:
MFCD02257738
IUPAC Name:
ethyl 4-chlorothieno[2,3-d]pyrimidine-6-carboxylate
InChI:
InChI=1S/C9H7ClN2O2S/c1-2-14-9(13)6-3-5-7(10)11-4-12-8(5)15-6/h3-4H,2H2,1H3
InChI Key:
IKUNLTCFOLEPBG-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1sc2c(c1)c(Cl)ncn2
Properties
Complexity:
254  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.992g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.677g/mol
Monoisotopic Mass:
241.992g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
80.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties