4-chloro-2-[(2,4-dimethylphenyl)sulfanylmethyl]pyridine

C14H14ClNS — CID 79244809

IUPAC4-chloro-2-[(2,4-dimethylphenyl)sulfanylmethyl]pyridine
SMILESCc1ccc(SCc2cc(Cl)ccn2)c(C)c1
InChIInChI=1S/C14H14ClNS/c1-10-3-4-14(11(2)7-10)17-9-13-8-12(15)5-6-16-13/h3-8H,9H2,1-2H3
InChIKeyQLFVUAKFKBCUDS-UHFFFAOYSA-N
MW263.79 g/mol
LogP4.64
Rot. Bonds3

About 4-chloro-2-[(2,4-dimethylphenyl)sulfanylmethyl]pyridine

4-chloro-2-[(2,4-dimethylphenyl)sulfanylmethyl]pyridine (PubChem CID 79244809) has the molecular formula C14H14ClNS and a molecular weight of 263.79 g/mol. Its IUPAC name is 4-chloro-2-[(2,4-dimethylphenyl)sulfanylmethyl]pyridine.

Molecular Properties

Compound Name4-chloro-2-[(2,4-dimethylphenyl)sulfanylmethyl]pyridine
PubChem CID79244809
Molecular FormulaC14H14ClNS
Molecular Weight263.79 g/mol
Exact Mass263.05
IUPAC Name4-chloro-2-[(2,4-dimethylphenyl)sulfanylmethyl]pyridine
SMILESCc1ccc(SCc2cc(Cl)ccn2)c(C)c1
InChIInChI=1S/C14H14ClNS/c1-10-3-4-14(11(2)7-10)17-9-13-8-12(15)5-6-16-13/h3-8H,9H2,1-2H3
InChIKeyQLFVUAKFKBCUDS-UHFFFAOYSA-N
XLogP4.64
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.79
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(2,4-dimethylphenyl)sulfanylmethyl]pyridine?
The IUPAC name of 4-chloro-2-[(2,4-dimethylphenyl)sulfanylmethyl]pyridine (CID 79244809) is 4-chloro-2-[(2,4-dimethylphenyl)sulfanylmethyl]pyridine.
What is the SMILES notation for 4-chloro-2-[(2,4-dimethylphenyl)sulfanylmethyl]pyridine?
The canonical SMILES for 4-chloro-2-[(2,4-dimethylphenyl)sulfanylmethyl]pyridine is Cc1ccc(SCc2cc(Cl)ccn2)c(C)c1.
What is the InChIKey of 4-chloro-2-[(2,4-dimethylphenyl)sulfanylmethyl]pyridine?
The InChIKey is QLFVUAKFKBCUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNS/c1-10-3-4-14(11(2)7-10)17-9-13-8-12(15)5-6-16-13/h3-8H,9H2,1-2H3.
What are the key properties of 4-chloro-2-[(2,4-dimethylphenyl)sulfanylmethyl]pyridine?
4-chloro-2-[(2,4-dimethylphenyl)sulfanylmethyl]pyridine has a molecular weight of 263.79 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(2,4-dimethylphenyl)sulfanylmethyl]pyridine is sourced from PubChem (CID 79244809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).