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Home > Pyridines > 131986-31-7
131986-31-7 | Pyridine, 3-(4-ethoxy-1,2,5-thiadiazol-3-yl)-1,2,5,6-tetrahydro-1-methyl-
CAS No: 131986-31-7 Catalog No: AG00100V MDL No:
Product Description
Catalog Number:
AG00100V
Chemical Name:
Pyridine, 3-(4-ethoxy-1,2,5-thiadiazol-3-yl)-1,2,5,6-tetrahydro-1-methyl-
CAS Number:
131986-31-7
Molecular Formula:
C10H15N3OS
Molecular Weight:
225.3106
IUPAC Name:
3-ethoxy-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole
InChI:
InChI=1S/C10H15N3OS/c1-3-14-10-9(11-15-12-10)8-5-4-6-13(2)7-8/h5H,3-4,6-7H2,1-2H3
InChI Key:
FVFYCQYZPZLAQO-UHFFFAOYSA-N
SMILES:
CCOc1nsnc1C1=CCCN(C1)C
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.094g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.31g/mol
Monoisotopic Mass:
225.094g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| Synthesis and evaluation of xanomeline analogs--probing the wash-resistant phenomenon at the M1 muscarinic acetylcholine receptor. | Bioorganic & medicinal chemistry 20080201 |
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