3,5-bis(propan-2-ylsulfanyl)pyridine

C11H17NS2 — CID 13433416

IUPAC3,5-bis(propan-2-ylsulfanyl)pyridine
SMILESCC(C)Sc1cncc(SC(C)C)c1
InChIInChI=1S/C11H17NS2/c1-8(2)13-10-5-11(7-12-6-10)14-9(3)4/h5-9H,1-4H3
InChIKeyNCPBSMASCORGER-UHFFFAOYSA-N
MW227.40 g/mol
LogP4.08
Rot. Bonds4

About 3,5-bis(propan-2-ylsulfanyl)pyridine

3,5-bis(propan-2-ylsulfanyl)pyridine (PubChem CID 13433416) has the molecular formula C11H17NS2 and a molecular weight of 227.40 g/mol. Its IUPAC name is 3,5-bis(propan-2-ylsulfanyl)pyridine.

Molecular Properties

Compound Name3,5-bis(propan-2-ylsulfanyl)pyridine
PubChem CID13433416
Molecular FormulaC11H17NS2
Molecular Weight227.40 g/mol
Exact Mass227.08
IUPAC Name3,5-bis(propan-2-ylsulfanyl)pyridine
SMILESCC(C)Sc1cncc(SC(C)C)c1
InChIInChI=1S/C11H17NS2/c1-8(2)13-10-5-11(7-12-6-10)14-9(3)4/h5-9H,1-4H3
InChIKeyNCPBSMASCORGER-UHFFFAOYSA-N
XLogP4.08
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis(propan-2-ylsulfanyl)pyridine?
The IUPAC name of 3,5-bis(propan-2-ylsulfanyl)pyridine (CID 13433416) is 3,5-bis(propan-2-ylsulfanyl)pyridine.
What is the SMILES notation for 3,5-bis(propan-2-ylsulfanyl)pyridine?
The canonical SMILES for 3,5-bis(propan-2-ylsulfanyl)pyridine is CC(C)Sc1cncc(SC(C)C)c1.
What is the InChIKey of 3,5-bis(propan-2-ylsulfanyl)pyridine?
The InChIKey is NCPBSMASCORGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS2/c1-8(2)13-10-5-11(7-12-6-10)14-9(3)4/h5-9H,1-4H3.
What are the key properties of 3,5-bis(propan-2-ylsulfanyl)pyridine?
3,5-bis(propan-2-ylsulfanyl)pyridine has a molecular weight of 227.40 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(propan-2-ylsulfanyl)pyridine is sourced from PubChem (CID 13433416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).