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Home > Pyridines > 851116-00-2
851116-00-2 | 5-(Pyrrolidin-1-ylsulfonyl)pyridine-2-thiol
CAS No: 851116-00-2 Catalog No: AG00IDJI MDL No:MFCD06655756
Product Description
Catalog Number:
AG00IDJI
Chemical Name:
5-(Pyrrolidin-1-ylsulfonyl)pyridine-2-thiol
CAS Number:
851116-00-2
Molecular Formula:
C9H12N2O2S2
Molecular Weight:
244.3338
MDL Number:
MFCD06655756
IUPAC Name:
5-pyrrolidin-1-ylsulfonyl-1H-pyridine-2-thione
InChI:
InChI=1S/C9H12N2O2S2/c12-15(13,11-5-1-2-6-11)8-3-4-9(14)10-7-8/h3-4,7H,1-2,5-6H2,(H,10,14)
InChI Key:
ZBCZPAKIYXSDLH-UHFFFAOYSA-N
SMILES:
Sc1ccc(cn1)S(=O)(=O)N1CCCC1
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.034g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.327g/mol
Monoisotopic Mass:
244.034g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
89.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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