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99539-08-9 | 5-(2,2,6,6-Tetramethyl-1,2,3,6-tetrahydro-pyridin-4-yl)-thiophene-2-carbaldehyde
CAS No: 99539-08-9 Catalog No: AG01F096 MDL No:
Product Description
Catalog Number:
AG01F096
Chemical Name:
5-(2,2,6,6-Tetramethyl-1,2,3,6-tetrahydro-pyridin-4-yl)-thiophene-2-carbaldehyde
CAS Number:
99539-08-9
Molecular Formula:
C14H19NOS
Molecular Weight:
249.3718
IUPAC Name:
5-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)thiophene-2-carbaldehyde
InChI:
InChI=1S/C14H19NOS/c1-13(2)7-10(8-14(3,4)15-13)12-6-5-11(9-16)17-12/h5-7,9,15H,8H2,1-4H3
InChI Key:
SCSNIOQJNLWHLG-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(s1)C1=CC(NC(C1)(C)C)(C)C
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.119g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.372g/mol
Monoisotopic Mass:
249.119g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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