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Home > Aldehydes > 133531-43-8
133531-43-8 | 5-(3-PYRIDINYL)-2-THIOPHENECARBALDEHYDE
CAS No: 133531-43-8 Catalog No: AG009APN MDL No:MFCD00115001
Product Description
Catalog Number:
AG009APN
Chemical Name:
5-(3-PYRIDINYL)-2-THIOPHENECARBALDEHYDE
CAS Number:
133531-43-8
Molecular Formula:
C10H7NOS
Molecular Weight:
189.2337
MDL Number:
MFCD00115001
IUPAC Name:
5-pyridin-3-ylthiophene-2-carbaldehyde
InChI:
InChI=1S/C10H7NOS/c12-7-9-3-4-10(13-9)8-2-1-5-11-6-8/h1-7H
InChI Key:
DIQWXENHCURRML-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(s1)c1cccnc1
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.025g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.232g/mol
Monoisotopic Mass:
189.025g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| 5-substituted, 6-substituted, and unsubstituted 3-heteroaromatic pyridine analogues of nicotine as selective inhibitors of cytochrome P-450 2A6. | Journal of medicinal chemistry 20050113 |
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