Home Other Building Blocks 3-[(phenylsulfanyl)methyl]pyridine

3-[(phenylsulfanyl)methyl]pyridine

CAS No.:
69966-47-8
Catalog Number:
AG01B694
Molecular Formula:
C12H11NS
Molecular Weight:
201.2874
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Product Description
Catalog Number:
AG01B694
Chemical Name:
3-[(phenylsulfanyl)methyl]pyridine
CAS Number:
69966-47-8
Molecular Formula:
C12H11NS
Molecular Weight:
201.2874
MDL Number:
MFCD02755094
IUPAC Name:
3-(phenylsulfanylmethyl)pyridine
InChI:
InChI=1S/C12H11NS/c1-2-6-12(7-3-1)14-10-11-5-4-8-13-9-11/h1-9H,10H2
InChI Key:
QAQODOCQHFQGPZ-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)SCc1cccnc1
Properties
Complexity:
154  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.061g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.287g/mol
Monoisotopic Mass:
201.061g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
38.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties