2-methyl-5-(2-propan-2-ylphenyl)sulfanylpyridine

C15H17NS — CID 11413846

IUPAC2-methyl-5-(2-propan-2-ylphenyl)sulfanylpyridine
SMILESCc1ccc(Sc2ccccc2C(C)C)cn1
InChIInChI=1S/C15H17NS/c1-11(2)14-6-4-5-7-15(14)17-13-9-8-12(3)16-10-13/h4-11H,1-3H3
InChIKeySDUVULICUWQZHI-UHFFFAOYSA-N
MW243.38 g/mol
LogP4.66
Rot. Bonds3

About 2-methyl-5-(2-propan-2-ylphenyl)sulfanylpyridine

2-methyl-5-(2-propan-2-ylphenyl)sulfanylpyridine (PubChem CID 11413846) has the molecular formula C15H17NS and a molecular weight of 243.38 g/mol. Its IUPAC name is 2-methyl-5-(2-propan-2-ylphenyl)sulfanylpyridine.

Molecular Properties

Compound Name2-methyl-5-(2-propan-2-ylphenyl)sulfanylpyridine
PubChem CID11413846
Molecular FormulaC15H17NS
Molecular Weight243.38 g/mol
Exact Mass243.11
IUPAC Name2-methyl-5-(2-propan-2-ylphenyl)sulfanylpyridine
SMILESCc1ccc(Sc2ccccc2C(C)C)cn1
InChIInChI=1S/C15H17NS/c1-11(2)14-6-4-5-7-15(14)17-13-9-8-12(3)16-10-13/h4-11H,1-3H3
InChIKeySDUVULICUWQZHI-UHFFFAOYSA-N
XLogP4.66
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-propan-2-ylphenyl)sulfanylpyridine?
The IUPAC name of 2-methyl-5-(2-propan-2-ylphenyl)sulfanylpyridine (CID 11413846) is 2-methyl-5-(2-propan-2-ylphenyl)sulfanylpyridine.
What is the SMILES notation for 2-methyl-5-(2-propan-2-ylphenyl)sulfanylpyridine?
The canonical SMILES for 2-methyl-5-(2-propan-2-ylphenyl)sulfanylpyridine is Cc1ccc(Sc2ccccc2C(C)C)cn1.
What is the InChIKey of 2-methyl-5-(2-propan-2-ylphenyl)sulfanylpyridine?
The InChIKey is SDUVULICUWQZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NS/c1-11(2)14-6-4-5-7-15(14)17-13-9-8-12(3)16-10-13/h4-11H,1-3H3.
What are the key properties of 2-methyl-5-(2-propan-2-ylphenyl)sulfanylpyridine?
2-methyl-5-(2-propan-2-ylphenyl)sulfanylpyridine has a molecular weight of 243.38 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2-propan-2-ylphenyl)sulfanylpyridine is sourced from PubChem (CID 11413846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).