2-[(2,5-dimethylphenyl)sulfanylmethyl]pyridine

C14H15NS — CID 52562461

IUPAC2-[(2,5-dimethylphenyl)sulfanylmethyl]pyridine
SMILESCc1ccc(C)c(SCc2ccccn2)c1
InChIInChI=1S/C14H15NS/c1-11-6-7-12(2)14(9-11)16-10-13-5-3-4-8-15-13/h3-9H,10H2,1-2H3
InChIKeyBSFSIEDRPOBWRE-UHFFFAOYSA-N
MW229.35 g/mol
LogP3.99
Rot. Bonds3

About 2-[(2,5-dimethylphenyl)sulfanylmethyl]pyridine

2-[(2,5-dimethylphenyl)sulfanylmethyl]pyridine (PubChem CID 52562461) has the molecular formula C14H15NS and a molecular weight of 229.35 g/mol. Its IUPAC name is 2-[(2,5-dimethylphenyl)sulfanylmethyl]pyridine.

Molecular Properties

Compound Name2-[(2,5-dimethylphenyl)sulfanylmethyl]pyridine
PubChem CID52562461
Molecular FormulaC14H15NS
Molecular Weight229.35 g/mol
Exact Mass229.09
IUPAC Name2-[(2,5-dimethylphenyl)sulfanylmethyl]pyridine
SMILESCc1ccc(C)c(SCc2ccccn2)c1
InChIInChI=1S/C14H15NS/c1-11-6-7-12(2)14(9-11)16-10-13-5-3-4-8-15-13/h3-9H,10H2,1-2H3
InChIKeyBSFSIEDRPOBWRE-UHFFFAOYSA-N
XLogP3.99
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-6-[(2,5-dimethylphenyl)sulfanylmethyl]pyridine
CID 79040235
2-methyl-6-(pyridin-2-ylmethylsulfanyl)aniline
CID 79146225
6-[(2,5-dimethylphenyl)sulfanylmethyl]-N-ethylpyridin-2-amine
CID 79239392
2-[(2-bromophenyl)methylsulfanyl]-1,4-dimethylbenzene
CID 60626405
2-[[4-(pyridin-2-ylmethylsulfanyl)phenyl]sulfanylmethyl]pyridine
CID 86021150
4,6-dimethyl-2-(pyridin-2-ylmethylsulfanyl)pyrimidine;hydrochloride
CID 19850830
4-fluoro-2-(pyridin-2-ylmethylsulfanyl)aniline
CID 79148713
2-(2,5-dimethylphenyl)sulfanyl-1-phenylethanamine
CID 55241118
1-(2,5-dimethylphenyl)-2-pyridin-2-ylsulfanylethanamine
CID 64648131
3-chloro-4-(pyridin-2-ylmethylsulfanyl)aniline
CID 19814400
2,5-dimethyl-N-(2-pyridin-2-ylethyl)aniline
CID 60720537
2-(pyridin-2-ylmethylsulfanylmethyl)pyridine
CID 12047870

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylphenyl)sulfanylmethyl]pyridine?
The IUPAC name of 2-[(2,5-dimethylphenyl)sulfanylmethyl]pyridine (CID 52562461) is 2-[(2,5-dimethylphenyl)sulfanylmethyl]pyridine.
What is the SMILES notation for 2-[(2,5-dimethylphenyl)sulfanylmethyl]pyridine?
The canonical SMILES for 2-[(2,5-dimethylphenyl)sulfanylmethyl]pyridine is Cc1ccc(C)c(SCc2ccccn2)c1.
What is the InChIKey of 2-[(2,5-dimethylphenyl)sulfanylmethyl]pyridine?
The InChIKey is BSFSIEDRPOBWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NS/c1-11-6-7-12(2)14(9-11)16-10-13-5-3-4-8-15-13/h3-9H,10H2,1-2H3.
What are the key properties of 2-[(2,5-dimethylphenyl)sulfanylmethyl]pyridine?
2-[(2,5-dimethylphenyl)sulfanylmethyl]pyridine has a molecular weight of 229.35 g/mol, XLogP of 3.99, 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)sulfanylmethyl]pyridine is sourced from PubChem (CID 52562461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).