2-[3-(3-pyridin-2-ylsulfanylpropylsulfinyl)propylsulfanyl]pyridine

C16H20N2OS3 — CID 56616691

IUPAC2-[3-(3-pyridin-2-ylsulfanylpropylsulfinyl)propylsulfanyl]pyridine
SMILESO=S(CCCSc1ccccn1)CCCSc1ccccn1
InChIInChI=1S/C16H20N2OS3/c19-22(13-5-11-20-15-7-1-3-9-17-15)14-6-12-21-16-8-2-4-10-18-16/h1-4,7-10H,5-6,11-14H2
InChIKeyRQIMTODLAYJBMQ-UHFFFAOYSA-N
MW352.55 g/mol
LogP3.89
Rot. Bonds10

About 2-[3-(3-pyridin-2-ylsulfanylpropylsulfinyl)propylsulfanyl]pyridine

2-[3-(3-pyridin-2-ylsulfanylpropylsulfinyl)propylsulfanyl]pyridine (PubChem CID 56616691) has the molecular formula C16H20N2OS3 and a molecular weight of 352.55 g/mol. Its IUPAC name is 2-[3-(3-pyridin-2-ylsulfanylpropylsulfinyl)propylsulfanyl]pyridine.

Molecular Properties

Compound Name2-[3-(3-pyridin-2-ylsulfanylpropylsulfinyl)propylsulfanyl]pyridine
PubChem CID56616691
Molecular FormulaC16H20N2OS3
Molecular Weight352.55 g/mol
Exact Mass352.07
IUPAC Name2-[3-(3-pyridin-2-ylsulfanylpropylsulfinyl)propylsulfanyl]pyridine
SMILESO=S(CCCSc1ccccn1)CCCSc1ccccn1
InChIInChI=1S/C16H20N2OS3/c19-22(13-5-11-20-15-7-1-3-9-17-15)14-6-12-21-16-8-2-4-10-18-16/h1-4,7-10H,5-6,11-14H2
InChIKeyRQIMTODLAYJBMQ-UHFFFAOYSA-N
XLogP3.89
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.55
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 2-[3-(3-pyridin-2-ylsulfanylpropylsulfinyl)propylsulfanyl]pyridine?
The IUPAC name of 2-[3-(3-pyridin-2-ylsulfanylpropylsulfinyl)propylsulfanyl]pyridine (CID 56616691) is 2-[3-(3-pyridin-2-ylsulfanylpropylsulfinyl)propylsulfanyl]pyridine.
What is the SMILES notation for 2-[3-(3-pyridin-2-ylsulfanylpropylsulfinyl)propylsulfanyl]pyridine?
The canonical SMILES for 2-[3-(3-pyridin-2-ylsulfanylpropylsulfinyl)propylsulfanyl]pyridine is O=S(CCCSc1ccccn1)CCCSc1ccccn1.
What is the InChIKey of 2-[3-(3-pyridin-2-ylsulfanylpropylsulfinyl)propylsulfanyl]pyridine?
The InChIKey is RQIMTODLAYJBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS3/c19-22(13-5-11-20-15-7-1-3-9-17-15)14-6-12-21-16-8-2-4-10-18-16/h1-4,7-10H,5-6,11-14H2.
What are the key properties of 2-[3-(3-pyridin-2-ylsulfanylpropylsulfinyl)propylsulfanyl]pyridine?
2-[3-(3-pyridin-2-ylsulfanylpropylsulfinyl)propylsulfanyl]pyridine has a molecular weight of 352.55 g/mol, XLogP of 3.89, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-pyridin-2-ylsulfanylpropylsulfinyl)propylsulfanyl]pyridine is sourced from PubChem (CID 56616691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).