2-[(2,5-dimethylphenyl)methylsulfanyl]-5-methylpyridine

C15H17NS — CID 57219210

IUPAC2-[(2,5-dimethylphenyl)methylsulfanyl]-5-methylpyridine
SMILESCc1ccc(SCc2cc(C)ccc2C)nc1
InChIInChI=1S/C15H17NS/c1-11-4-6-13(3)14(8-11)10-17-15-7-5-12(2)9-16-15/h4-9H,10H2,1-3H3
InChIKeyQTBFFGVUZIMUNW-UHFFFAOYSA-N
MW243.37 g/mol
LogP4.30
Rot. Bonds3

About 2-[(2,5-dimethylphenyl)methylsulfanyl]-5-methylpyridine

2-[(2,5-dimethylphenyl)methylsulfanyl]-5-methylpyridine (PubChem CID 57219210) has the molecular formula C15H17NS and a molecular weight of 243.37 g/mol. Its IUPAC name is 2-[(2,5-dimethylphenyl)methylsulfanyl]-5-methylpyridine.

Molecular Properties

Compound Name2-[(2,5-dimethylphenyl)methylsulfanyl]-5-methylpyridine
PubChem CID57219210
Molecular FormulaC15H17NS
Molecular Weight243.37 g/mol
Exact Mass243.11
IUPAC Name2-[(2,5-dimethylphenyl)methylsulfanyl]-5-methylpyridine
SMILESCc1ccc(SCc2cc(C)ccc2C)nc1
InChIInChI=1S/C15H17NS/c1-11-4-6-13(3)14(8-11)10-17-15-7-5-12(2)9-16-15/h4-9H,10H2,1-3H3
InChIKeyQTBFFGVUZIMUNW-UHFFFAOYSA-N
XLogP4.30
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[(2,5-dimethylphenyl)methylsulfanyl]-5-methylpyridine with MolForge

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

Launch Full Analysis

Related Compounds

3-(2,4-dimethylphenyl)-6-[(2,5-dimethylphenyl)methylsulfanyl]pyridazine
CID 43936970
2-[(2,5-dimethylphenyl)methylsulfanyl]pyridine-4-carboxylic acid
CID 61482179
1,4-dimethyl-2-(methylsulfanylmethyl)benzene
CID 11768926
3-[(2,5-dimethylphenyl)methylsulfanyl]-6-(4-ethylphenyl)pyridazine
CID 43936932
4-[(2,5-dimethylphenyl)methylsulfanyl]aniline
CID 4156794
2-butylsulfanyl-5-methylpyridine
CID 135224790
4-[(2,5-dimethylphenyl)methylsulfanyl]-5,6-dimethylthieno[2,3-d]pyrimidine
CID 936504
2-[2-[2-[2-(2,5-dimethylphenyl)ethyl]phenyl]ethyl]-1,4-dimethylbenzene
CID 132604430
2-[(2,5-dimethylphenyl)methylsulfanyl]-3-methoxypyridine
CID 501245
4-[(2,5-dimethylphenyl)methylsulfanyl]pyridine-2-carboxylic acid
CID 79554724
2-[(2-methyl-5-propan-2-ylphenyl)methylsulfanyl]pyridine
CID 21406924
ethane;2-(methoxymethyl)-1,4-dimethylbenzene
CID 143876448

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylphenyl)methylsulfanyl]-5-methylpyridine?
The IUPAC name of 2-[(2,5-dimethylphenyl)methylsulfanyl]-5-methylpyridine (CID 57219210) is 2-[(2,5-dimethylphenyl)methylsulfanyl]-5-methylpyridine.
What is the SMILES notation for 2-[(2,5-dimethylphenyl)methylsulfanyl]-5-methylpyridine?
The canonical SMILES for 2-[(2,5-dimethylphenyl)methylsulfanyl]-5-methylpyridine is Cc1ccc(SCc2cc(C)ccc2C)nc1.
What is the InChIKey of 2-[(2,5-dimethylphenyl)methylsulfanyl]-5-methylpyridine?
The InChIKey is QTBFFGVUZIMUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NS/c1-11-4-6-13(3)14(8-11)10-17-15-7-5-12(2)9-16-15/h4-9H,10H2,1-3H3.
What are the key properties of 2-[(2,5-dimethylphenyl)methylsulfanyl]-5-methylpyridine?
2-[(2,5-dimethylphenyl)methylsulfanyl]-5-methylpyridine has a molecular weight of 243.37 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylphenyl)methylsulfanyl]-5-methylpyridine is sourced from PubChem (CID 57219210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).