1-[(Phenylthio)methyl]pyridinium structure

1-[(Phenylthio)methyl]pyridinium

1-(phenylsulfanylmethyl)pyridin-1-ium

Also Known As: 1-[(Phenylthio)methyl]pyridinium|1-((Phenylthio)methyl)pyridinium|1-(Phenylthiomethyl)pyridinium|1-(phenylsulfanylmethyl)pyridin-1-ium|1-[(PHENYLSULFANYL)METHYL]PYRIDIN-1-IUM

CAS: 71880-02-9
Molecular Formula C12H12NS+
Molecular Weight 202.06905 g/mol
LogP 3.2
Topological Polar Surface Area 29.2 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
Rotatable Bonds 3
Exact Mass 202.06905
Monoisotopic Mass 202.06905
Heavy Atoms 14
Complexity 148.0

Chemical Identifiers

CAS Number 71880-02-9
SMILES C1=CC=C(C=C1)SC[N+]2=CC=CC=C2
InChIKey LHMRTNGWGSTIGK-UHFFFAOYSA-N

Product Overview

1-[(Phenylthio)methyl]pyridinium (CAS 71880-02-9), with molecular formula C12H12NS+ and molecular weight 202.06905 g/mol. IUPAC: 1-(phenylsulfanylmethyl)pyridin-1-ium.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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