4-(2-propan-2-ylsulfanylethyl)pyridine

C10H15NS — CID 3077486

IUPAC4-(2-propan-2-ylsulfanylethyl)pyridine
SMILESCC(C)SCCc1ccncc1
InChIInChI=1S/C10H15NS/c1-9(2)12-8-5-10-3-6-11-7-4-10/h3-4,6-7,9H,5,8H2,1-2H3
InChIKeyLKSIVBFOLHIEAR-UHFFFAOYSA-N
MW181.30 g/mol
LogP2.77
Rot. Bonds4

About 4-(2-propan-2-ylsulfanylethyl)pyridine

4-(2-propan-2-ylsulfanylethyl)pyridine (PubChem CID 3077486) has the molecular formula C10H15NS and a molecular weight of 181.30 g/mol. Its IUPAC name is 4-(2-propan-2-ylsulfanylethyl)pyridine.

Molecular Properties

Compound Name4-(2-propan-2-ylsulfanylethyl)pyridine
PubChem CID3077486
Molecular FormulaC10H15NS
Molecular Weight181.30 g/mol
Exact Mass181.09
IUPAC Name4-(2-propan-2-ylsulfanylethyl)pyridine
SMILESCC(C)SCCc1ccncc1
InChIInChI=1S/C10H15NS/c1-9(2)12-8-5-10-3-6-11-7-4-10/h3-4,6-7,9H,5,8H2,1-2H3
InChIKeyLKSIVBFOLHIEAR-UHFFFAOYSA-N
XLogP2.77
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-propan-2-ylsulfanylethyl)pyridine?
The IUPAC name of 4-(2-propan-2-ylsulfanylethyl)pyridine (CID 3077486) is 4-(2-propan-2-ylsulfanylethyl)pyridine.
What is the SMILES notation for 4-(2-propan-2-ylsulfanylethyl)pyridine?
The canonical SMILES for 4-(2-propan-2-ylsulfanylethyl)pyridine is CC(C)SCCc1ccncc1.
What is the InChIKey of 4-(2-propan-2-ylsulfanylethyl)pyridine?
The InChIKey is LKSIVBFOLHIEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NS/c1-9(2)12-8-5-10-3-6-11-7-4-10/h3-4,6-7,9H,5,8H2,1-2H3.
What are the key properties of 4-(2-propan-2-ylsulfanylethyl)pyridine?
4-(2-propan-2-ylsulfanylethyl)pyridine has a molecular weight of 181.30 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-propan-2-ylsulfanylethyl)pyridine is sourced from PubChem (CID 3077486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).