2-(heptyldisulfanyl)pyridine

C12H19NS2 — CID 142928612

IUPAC2-(heptyldisulfanyl)pyridine
SMILESCCCCCCCSSc1ccccn1
InChIInChI=1S/C12H19NS2/c1-2-3-4-5-8-11-14-15-12-9-6-7-10-13-12/h6-7,9-10H,2-5,8,11H2,1H3
InChIKeyBPHILGCQHPNBAS-UHFFFAOYSA-N
MW241.42 g/mol
LogP4.79
Rot. Bonds8

About 2-(heptyldisulfanyl)pyridine

2-(heptyldisulfanyl)pyridine (PubChem CID 142928612) has the molecular formula C12H19NS2 and a molecular weight of 241.42 g/mol. Its IUPAC name is 2-(heptyldisulfanyl)pyridine.

Molecular Properties

Compound Name2-(heptyldisulfanyl)pyridine
PubChem CID142928612
Molecular FormulaC12H19NS2
Molecular Weight241.42 g/mol
Exact Mass241.10
IUPAC Name2-(heptyldisulfanyl)pyridine
SMILESCCCCCCCSSc1ccccn1
InChIInChI=1S/C12H19NS2/c1-2-3-4-5-8-11-14-15-12-9-6-7-10-13-12/h6-7,9-10H,2-5,8,11H2,1H3
InChIKeyBPHILGCQHPNBAS-UHFFFAOYSA-N
XLogP4.79
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(heptyldisulfanyl)pyridine?
The IUPAC name of 2-(heptyldisulfanyl)pyridine (CID 142928612) is 2-(heptyldisulfanyl)pyridine.
What is the SMILES notation for 2-(heptyldisulfanyl)pyridine?
The canonical SMILES for 2-(heptyldisulfanyl)pyridine is CCCCCCCSSc1ccccn1.
What is the InChIKey of 2-(heptyldisulfanyl)pyridine?
The InChIKey is BPHILGCQHPNBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS2/c1-2-3-4-5-8-11-14-15-12-9-6-7-10-13-12/h6-7,9-10H,2-5,8,11H2,1H3.
What are the key properties of 2-(heptyldisulfanyl)pyridine?
2-(heptyldisulfanyl)pyridine has a molecular weight of 241.42 g/mol, XLogP of 4.79, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(heptyldisulfanyl)pyridine is sourced from PubChem (CID 142928612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).