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1593-56-2 | 2(1H)-Pyridinethione, 1-[2-[(4-methylphenyl)thio]ethyl]-
CAS No: 1593-56-2 Catalog No: AG001QLJ MDL No:
Product Description
Catalog Number:
AG001QLJ
Chemical Name:
2(1H)-Pyridinethione, 1-[2-[(4-methylphenyl)thio]ethyl]-
CAS Number:
1593-56-2
Molecular Formula:
C14H15NS2
Molecular Weight:
261.4056
IUPAC Name:
1-[2-(4-methylphenyl)sulfanylethyl]pyridine-2-thione
InChI:
InChI=1S/C14H15NS2/c1-12-5-7-13(8-6-12)17-11-10-15-9-3-2-4-14(15)16/h2-9H,10-11H2,1H3
InChI Key:
PIRDFSWXAYADGZ-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)SCCn1ccccc1=S
NSC Number:
42717
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.065g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.401g/mol
Monoisotopic Mass:
261.065g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
60.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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