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Home > Pyridines > 900641-10-3
900641-10-3 | 4-ethyl-4H,5H,6H,7H-thieno[3,2-c]pyridine
CAS No: 900641-10-3 Catalog No: AG00IG09 MDL No:MFCD07366381
Product Description
Catalog Number:
AG00IG09
Chemical Name:
4-ethyl-4H,5H,6H,7H-thieno[3,2-c]pyridine
CAS Number:
900641-10-3
Molecular Formula:
C9H13NS
Molecular Weight:
167.2712
MDL Number:
MFCD07366381
IUPAC Name:
4-ethyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
InChI:
InChI=1S/C9H13NS/c1-2-8-7-4-6-11-9(7)3-5-10-8/h4,6,8,10H,2-3,5H2,1H3
InChI Key:
URYVPKBHQRLGHP-UHFFFAOYSA-N
SMILES:
CCC1NCCc2c1ccs2
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.077g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
167.27g/mol
Monoisotopic Mass:
167.077g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.3A^2
Undefined Atom Stereocenter Count:
1
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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