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Home > Pyridines > 940271-60-3
940271-60-3 | 5-(pyrrolidine-1-carbonyl)pyridine-2-thiol
CAS No: 940271-60-3 Catalog No: AG019KOG MDL No:MFCD09802050
Product Description
Catalog Number:
AG019KOG
Chemical Name:
5-(pyrrolidine-1-carbonyl)pyridine-2-thiol
CAS Number:
940271-60-3
Molecular Formula:
C10H12N2OS
Molecular Weight:
208.2801
MDL Number:
MFCD09802050
IUPAC Name:
pyrrolidin-1-yl-(6-sulfanylidene-1H-pyridin-3-yl)methanone
InChI:
InChI=1S/C10H12N2OS/c13-10(12-5-1-2-6-12)8-3-4-9(14)11-7-8/h3-4,7H,1-2,5-6H2,(H,11,14)
InChI Key:
SRWHCIKMKOGGRD-UHFFFAOYSA-N
SMILES:
Sc1ccc(cn1)C(=O)N1CCCC1
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.067g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.279g/mol
Monoisotopic Mass:
208.067g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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