4-(2-ethylsulfanylethyl)pyridine

C9H13NS — CID 2255980

IUPAC4-(2-ethylsulfanylethyl)pyridine
SMILESCCSCCc1ccncc1
InChIInChI=1S/C9H13NS/c1-2-11-8-5-9-3-6-10-7-4-9/h3-4,6-7H,2,5,8H2,1H3
InChIKeyGVTNTCNPNBRSHW-UHFFFAOYSA-N
MW167.28 g/mol
LogP2.38
Rot. Bonds4

About 4-(2-ethylsulfanylethyl)pyridine

4-(2-ethylsulfanylethyl)pyridine (PubChem CID 2255980) has the molecular formula C9H13NS and a molecular weight of 167.28 g/mol. Its IUPAC name is 4-(2-ethylsulfanylethyl)pyridine.

Molecular Properties

Compound Name4-(2-ethylsulfanylethyl)pyridine
PubChem CID2255980
Molecular FormulaC9H13NS
Molecular Weight167.28 g/mol
Exact Mass167.08
IUPAC Name4-(2-ethylsulfanylethyl)pyridine
SMILESCCSCCc1ccncc1
InChIInChI=1S/C9H13NS/c1-2-11-8-5-9-3-6-10-7-4-9/h3-4,6-7H,2,5,8H2,1H3
InChIKeyGVTNTCNPNBRSHW-UHFFFAOYSA-N
XLogP2.38
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.28
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylsulfanylethyl)pyridine?
The IUPAC name of 4-(2-ethylsulfanylethyl)pyridine (CID 2255980) is 4-(2-ethylsulfanylethyl)pyridine.
What is the SMILES notation for 4-(2-ethylsulfanylethyl)pyridine?
The canonical SMILES for 4-(2-ethylsulfanylethyl)pyridine is CCSCCc1ccncc1.
What is the InChIKey of 4-(2-ethylsulfanylethyl)pyridine?
The InChIKey is GVTNTCNPNBRSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NS/c1-2-11-8-5-9-3-6-10-7-4-9/h3-4,6-7H,2,5,8H2,1H3.
What are the key properties of 4-(2-ethylsulfanylethyl)pyridine?
4-(2-ethylsulfanylethyl)pyridine has a molecular weight of 167.28 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylsulfanylethyl)pyridine is sourced from PubChem (CID 2255980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).