1-methyl-4-phenylsulfanyl-2H-pyridine

C12H13NS — CID 53446740

IUPAC1-methyl-4-phenylsulfanyl-2H-pyridine
SMILESCN1C=CC(Sc2ccccc2)=CC1
InChIInChI=1S/C12H13NS/c1-13-9-7-12(8-10-13)14-11-5-3-2-4-6-11/h2-9H,10H2,1H3
InChIKeyCLYPDEKNVQTMIK-UHFFFAOYSA-N
MW203.31 g/mol
LogP3.12
Rot. Bonds2

About 1-methyl-4-phenylsulfanyl-2H-pyridine

1-methyl-4-phenylsulfanyl-2H-pyridine (PubChem CID 53446740) has the molecular formula C12H13NS and a molecular weight of 203.31 g/mol. Its IUPAC name is 1-methyl-4-phenylsulfanyl-2H-pyridine.

Molecular Properties

Compound Name1-methyl-4-phenylsulfanyl-2H-pyridine
PubChem CID53446740
Molecular FormulaC12H13NS
Molecular Weight203.31 g/mol
Exact Mass203.08
IUPAC Name1-methyl-4-phenylsulfanyl-2H-pyridine
SMILESCN1C=CC(Sc2ccccc2)=CC1
InChIInChI=1S/C12H13NS/c1-13-9-7-12(8-10-13)14-11-5-3-2-4-6-11/h2-9H,10H2,1H3
InChIKeyCLYPDEKNVQTMIK-UHFFFAOYSA-N
XLogP3.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-methyl-4-phenylsulfanyl-2H-pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-phenylsulfanyl-2H-pyridine?
The IUPAC name of 1-methyl-4-phenylsulfanyl-2H-pyridine (CID 53446740) is 1-methyl-4-phenylsulfanyl-2H-pyridine.
What is the SMILES notation for 1-methyl-4-phenylsulfanyl-2H-pyridine?
The canonical SMILES for 1-methyl-4-phenylsulfanyl-2H-pyridine is CN1C=CC(Sc2ccccc2)=CC1.
What is the InChIKey of 1-methyl-4-phenylsulfanyl-2H-pyridine?
The InChIKey is CLYPDEKNVQTMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NS/c1-13-9-7-12(8-10-13)14-11-5-3-2-4-6-11/h2-9H,10H2,1H3.
What are the key properties of 1-methyl-4-phenylsulfanyl-2H-pyridine?
1-methyl-4-phenylsulfanyl-2H-pyridine has a molecular weight of 203.31 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-phenylsulfanyl-2H-pyridine is sourced from PubChem (CID 53446740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).