1-methyl-2-[(3-nitrophenyl)methylsulfanyl]pyridin-1-ium,chloride

Modify Date: 2025-10-09 13:36:27

1-methyl-2-[(3-nitrophenyl)methylsulfanyl]pyridin-1-ium,chloride Structure
1-methyl-2-[(3-nitrophenyl)methylsulfanyl]pyridin-1-ium,chloride structure
Common Name 1-methyl-2-[(3-nitrophenyl)methylsulfanyl]pyridin-1-ium,chloride
CAS Number 77148-91-5 Molecular Weight 296.77300
Density N/A Boiling Point N/A
Molecular Formula C13H13ClN2O2S Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name 1-methyl-2-[(3-nitrophenyl)methylsulfanyl]pyridin-1-ium,chloride

 Chemical & Physical Properties

Molecular Formula C13H13ClN2O2S
Molecular Weight 296.77300
Exact Mass 296.03900
PSA 75.00000
LogP 0.23880
InChIKey KNHOOTZWPPNXCI-UHFFFAOYSA-M
SMILES C[n+]1ccccc1SCc1cccc([N+](=O)[O-])c1.[Cl-]

 Synthetic Route

~37%

1-methyl-2-[(3-nitrophenyl)methylsulfanyl]pyridin-1-ium,chloride Structure

1-methyl-2-[(3-...

CAS#:77148-91-5

Literature: Beattie; Crossley; Dickinson; Dover European Journal of Medicinal Chemistry, 1983 , vol. 18, # 3 p. 277 - 285

 Precursor & DownStream

Precursor  2

DownStream  0

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