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Home > Pyridines > 131987-16-1
131987-16-1 | Pyridine, 3-[4-(butylthio)-1,2,5-thiadiazol-3-yl]-1,2,5,6-tetrahydro-1-methyl-
CAS No: 131987-16-1 Catalog No: AG00100S MDL No:
Product Description
Catalog Number:
AG00100S
Chemical Name:
Pyridine, 3-[4-(butylthio)-1,2,5-thiadiazol-3-yl]-1,2,5,6-tetrahydro-1-methyl-
CAS Number:
131987-16-1
Molecular Formula:
C12H19N3S2
Molecular Weight:
269.4294
IUPAC Name:
3-butylsulfanyl-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole
InChI:
InChI=1S/C12H19N3S2/c1-3-4-8-16-12-11(13-17-14-12)10-6-5-7-15(2)9-10/h6H,3-5,7-9H2,1-2H3
InChI Key:
SFXHHGRYNXLPKT-UHFFFAOYSA-N
SMILES:
CCCCSc1nsnc1C1=CCCN(C1)C
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.102g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.425g/mol
Monoisotopic Mass:
269.102g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
82.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| PET study of the M1-agonists [11C]xanomeline and [11C]butylthio-TZTP in monkey and man. | Dementia (Basel, Switzerland) 19960101 |
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