2-methylsulfanyl-6-phenylpyridine

C12H11NS — CID 11481090

IUPAC2-methylsulfanyl-6-phenylpyridine
SMILESCSc1cccc(-c2ccccc2)n1
InChIInChI=1S/C12H11NS/c1-14-12-9-5-8-11(13-12)10-6-3-2-4-7-10/h2-9H,1H3
InChIKeyODZJPHUALFVKND-UHFFFAOYSA-N
MW201.29 g/mol
LogP3.47
Rot. Bonds2

About 2-methylsulfanyl-6-phenylpyridine

2-methylsulfanyl-6-phenylpyridine (PubChem CID 11481090) has the molecular formula C12H11NS and a molecular weight of 201.29 g/mol. Its IUPAC name is 2-methylsulfanyl-6-phenylpyridine.

Molecular Properties

Compound Name2-methylsulfanyl-6-phenylpyridine
PubChem CID11481090
Molecular FormulaC12H11NS
Molecular Weight201.29 g/mol
Exact Mass201.06
IUPAC Name2-methylsulfanyl-6-phenylpyridine
SMILESCSc1cccc(-c2ccccc2)n1
InChIInChI=1S/C12H11NS/c1-14-12-9-5-8-11(13-12)10-6-3-2-4-7-10/h2-9H,1H3
InChIKeyODZJPHUALFVKND-UHFFFAOYSA-N
XLogP3.47
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-6-phenylpyridine?
The IUPAC name of 2-methylsulfanyl-6-phenylpyridine (CID 11481090) is 2-methylsulfanyl-6-phenylpyridine.
What is the SMILES notation for 2-methylsulfanyl-6-phenylpyridine?
The canonical SMILES for 2-methylsulfanyl-6-phenylpyridine is CSc1cccc(-c2ccccc2)n1.
What is the InChIKey of 2-methylsulfanyl-6-phenylpyridine?
The InChIKey is ODZJPHUALFVKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NS/c1-14-12-9-5-8-11(13-12)10-6-3-2-4-7-10/h2-9H,1H3.
What are the key properties of 2-methylsulfanyl-6-phenylpyridine?
2-methylsulfanyl-6-phenylpyridine has a molecular weight of 201.29 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-6-phenylpyridine is sourced from PubChem (CID 11481090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).