3-tert-butylsulfanyl-4-propylpyridine

C12H19NS — CID 121007768

IUPAC3-tert-butylsulfanyl-4-propylpyridine
SMILESCCCc1ccncc1SC(C)(C)C
InChIInChI=1S/C12H19NS/c1-5-6-10-7-8-13-9-11(10)14-12(2,3)4/h7-9H,5-6H2,1-4H3
InChIKeyMTRNCNQEJZPATL-UHFFFAOYSA-N
MW209.36 g/mol
LogP3.92
Rot. Bonds3

About 3-tert-butylsulfanyl-4-propylpyridine

3-tert-butylsulfanyl-4-propylpyridine (PubChem CID 121007768) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is 3-tert-butylsulfanyl-4-propylpyridine.

Molecular Properties

Compound Name3-tert-butylsulfanyl-4-propylpyridine
PubChem CID121007768
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC Name3-tert-butylsulfanyl-4-propylpyridine
SMILESCCCc1ccncc1SC(C)(C)C
InChIInChI=1S/C12H19NS/c1-5-6-10-7-8-13-9-11(10)14-12(2,3)4/h7-9H,5-6H2,1-4H3
InChIKeyMTRNCNQEJZPATL-UHFFFAOYSA-N
XLogP3.92
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butylsulfanyl-4-propylpyridine?
The IUPAC name of 3-tert-butylsulfanyl-4-propylpyridine (CID 121007768) is 3-tert-butylsulfanyl-4-propylpyridine.
What is the SMILES notation for 3-tert-butylsulfanyl-4-propylpyridine?
The canonical SMILES for 3-tert-butylsulfanyl-4-propylpyridine is CCCc1ccncc1SC(C)(C)C.
What is the InChIKey of 3-tert-butylsulfanyl-4-propylpyridine?
The InChIKey is MTRNCNQEJZPATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS/c1-5-6-10-7-8-13-9-11(10)14-12(2,3)4/h7-9H,5-6H2,1-4H3.
What are the key properties of 3-tert-butylsulfanyl-4-propylpyridine?
3-tert-butylsulfanyl-4-propylpyridine has a molecular weight of 209.36 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butylsulfanyl-4-propylpyridine is sourced from PubChem (CID 121007768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).