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131986-45-3

131986-45-3 | Pyridine, 3-[4-(hexyloxy)-1,2,5-thiadiazol-3-yl]-1,2,5,6-tetrahydro-1-methyl-

CAS No: 131986-45-3 Catalog No: AG00100T MDL No:MFCD00867179

Product Description

Catalog Number:
AG00100T
Chemical Name:
Pyridine, 3-[4-(hexyloxy)-1,2,5-thiadiazol-3-yl]-1,2,5,6-tetrahydro-1-methyl-
CAS Number:
131986-45-3
Molecular Formula:
C14H23N3OS
Molecular Weight:
281.4169
MDL Number:
MFCD00867179
IUPAC Name:
3-hexoxy-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole
InChI:
InChI=1S/C14H23N3OS/c1-3-4-5-6-10-18-14-13(15-19-16-14)12-8-7-9-17(2)11-12/h8H,3-7,9-11H2,1-2H3
InChI Key:
JOLJIIDDOBNFHW-UHFFFAOYSA-N
SMILES:
CCCCCCOc1nsnc1C1=CCCN(C1)C
UNII:
9ORI6L73CJ

Properties

Complexity:
298  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.156g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.418g/mol
Monoisotopic Mass:
281.156g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
66.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  

Literature

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