Home Halogens ethyl 4-chloro-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate

ethyl 4-chloro-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate

CAS No.:
148838-70-4
Catalog Number:
AG00HXNQ
Molecular Formula:
C11H11ClN2O2S
Molecular Weight:
270.7352
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG00HXNQ
Chemical Name:
ethyl 4-chloro-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CAS Number:
148838-70-4
Molecular Formula:
C11H11ClN2O2S
Molecular Weight:
270.7352
MDL Number:
MFCD00520812
IUPAC Name:
ethyl 4-chloro-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
InChI:
InChI=1S/C11H11ClN2O2S/c1-4-16-11(15)8-5(2)7-9(12)13-6(3)14-10(7)17-8/h4H2,1-3H3
InChI Key:
YYCUXTBJUMPPDP-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1sc2c(c1C)c(Cl)nc(n2)C
Properties
Complexity:
305  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.023g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.731g/mol
Monoisotopic Mass:
270.023g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
80.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties