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1325303-97-6

1325303-97-6 | 3-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]pyridine-2-thiol

CAS No: 1325303-97-6 Catalog No: AG00J0P0 MDL No:MFCD19104979

Product Description

Catalog Number:
AG00J0P0
Chemical Name:
3-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]pyridine-2-thiol
CAS Number:
1325303-97-6
Molecular Formula:
C11H7N3OS2
Molecular Weight:
261.3228
MDL Number:
MFCD19104979
IUPAC Name:
3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1H-pyridine-2-thione
InChI:
InChI=1S/C11H7N3OS2/c16-11-7(3-1-5-12-11)10-13-9(14-15-10)8-4-2-6-17-8/h1-6H,(H,12,16)
InChI Key:
XTGJCYPKZCVHBS-UHFFFAOYSA-N
SMILES:
Sc1ncccc1c1onc(n1)c1cccs1

Properties

Complexity:
383  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.003g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
261.317g/mol
Monoisotopic Mass:
261.003g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

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