4-chloro-2-(thiophen-2-ylsulfanylmethyl)pyridine

C10H8ClNS2 — CID 79244699

IUPAC4-chloro-2-(thiophen-2-ylsulfanylmethyl)pyridine
SMILESClc1ccnc(CSc2cccs2)c1
InChIInChI=1S/C10H8ClNS2/c11-8-3-4-12-9(6-8)7-14-10-2-1-5-13-10/h1-6H,7H2
InChIKeyFEXRMEYXICMBCR-UHFFFAOYSA-N
MW241.77 g/mol
LogP4.09
Rot. Bonds3

About 4-chloro-2-(thiophen-2-ylsulfanylmethyl)pyridine

4-chloro-2-(thiophen-2-ylsulfanylmethyl)pyridine (PubChem CID 79244699) has the molecular formula C10H8ClNS2 and a molecular weight of 241.77 g/mol. Its IUPAC name is 4-chloro-2-(thiophen-2-ylsulfanylmethyl)pyridine.

Molecular Properties

Compound Name4-chloro-2-(thiophen-2-ylsulfanylmethyl)pyridine
PubChem CID79244699
Molecular FormulaC10H8ClNS2
Molecular Weight241.77 g/mol
Exact Mass240.98
IUPAC Name4-chloro-2-(thiophen-2-ylsulfanylmethyl)pyridine
SMILESClc1ccnc(CSc2cccs2)c1
InChIInChI=1S/C10H8ClNS2/c11-8-3-4-12-9(6-8)7-14-10-2-1-5-13-10/h1-6H,7H2
InChIKeyFEXRMEYXICMBCR-UHFFFAOYSA-N
XLogP4.09
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.77
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(thiophen-2-ylsulfanylmethyl)pyridine?
The IUPAC name of 4-chloro-2-(thiophen-2-ylsulfanylmethyl)pyridine (CID 79244699) is 4-chloro-2-(thiophen-2-ylsulfanylmethyl)pyridine.
What is the SMILES notation for 4-chloro-2-(thiophen-2-ylsulfanylmethyl)pyridine?
The canonical SMILES for 4-chloro-2-(thiophen-2-ylsulfanylmethyl)pyridine is Clc1ccnc(CSc2cccs2)c1.
What is the InChIKey of 4-chloro-2-(thiophen-2-ylsulfanylmethyl)pyridine?
The InChIKey is FEXRMEYXICMBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNS2/c11-8-3-4-12-9(6-8)7-14-10-2-1-5-13-10/h1-6H,7H2.
What are the key properties of 4-chloro-2-(thiophen-2-ylsulfanylmethyl)pyridine?
4-chloro-2-(thiophen-2-ylsulfanylmethyl)pyridine has a molecular weight of 241.77 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(thiophen-2-ylsulfanylmethyl)pyridine is sourced from PubChem (CID 79244699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).