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857284-01-6 | 4H-Thieno[3,2-b]pyrrole-5-carboxylicacid, 4-methyl-, methyl ester
CAS No: 857284-01-6 Catalog No: AG004P9B MDL No:MFCD07772839
Product Description
Catalog Number:
AG004P9B
Chemical Name:
4H-Thieno[3,2-b]pyrrole-5-carboxylicacid, 4-methyl-, methyl ester
CAS Number:
857284-01-6
Molecular Formula:
C9H9NO2S
Molecular Weight:
195.2383
MDL Number:
MFCD07772839
IUPAC Name:
methyl 4-methylthieno[3,2-b]pyrrole-5-carboxylate
InChI:
InChI=1S/C9H9NO2S/c1-10-6-3-4-13-8(6)5-7(10)9(11)12-2/h3-5H,1-2H3
InChI Key:
XEUNAKNOKLBKIQ-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc2c(n1C)ccs2
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.035g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.236g/mol
Monoisotopic Mass:
195.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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