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21070-67-7 | Pyridine, 4-[2-(phenylthio)ethyl]-
CAS No: 21070-67-7 Catalog No: AG002KXF MDL No:
Product Description
Catalog Number:
AG002KXF
Chemical Name:
Pyridine, 4-[2-(phenylthio)ethyl]-
CAS Number:
21070-67-7
Molecular Formula:
C13H13NS
Molecular Weight:
215.3140
IUPAC Name:
4-(2-phenylsulfanylethyl)pyridine
InChI:
InChI=1S/C13H13NS/c1-2-4-13(5-3-1)15-11-8-12-6-9-14-10-7-12/h1-7,9-10H,8,11H2
InChI Key:
XFLNVXUSNWPNOC-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)SCCc1ccncc1
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.077g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.314g/mol
Monoisotopic Mass:
215.077g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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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