2-butylsulfanyl-5-methylpyridine

C10H15NS — CID 135224790

IUPAC2-butylsulfanyl-5-methylpyridine
SMILESCCCCSc1ccc(C)cn1
InChIInChI=1S/C10H15NS/c1-3-4-7-12-10-6-5-9(2)8-11-10/h5-6,8H,3-4,7H2,1-2H3
InChIKeyKGBKDHHUCDDVRZ-UHFFFAOYSA-N
MW181.30 g/mol
LogP3.28
Rot. Bonds4

About 2-butylsulfanyl-5-methylpyridine

2-butylsulfanyl-5-methylpyridine (PubChem CID 135224790) has the molecular formula C10H15NS and a molecular weight of 181.30 g/mol. Its IUPAC name is 2-butylsulfanyl-5-methylpyridine.

Molecular Properties

Compound Name2-butylsulfanyl-5-methylpyridine
PubChem CID135224790
Molecular FormulaC10H15NS
Molecular Weight181.30 g/mol
Exact Mass181.09
IUPAC Name2-butylsulfanyl-5-methylpyridine
SMILESCCCCSc1ccc(C)cn1
InChIInChI=1S/C10H15NS/c1-3-4-7-12-10-6-5-9(2)8-11-10/h5-6,8H,3-4,7H2,1-2H3
InChIKeyKGBKDHHUCDDVRZ-UHFFFAOYSA-N
XLogP3.28
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 53.28
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 2-butylsulfanyl-5-methylpyridine?
The IUPAC name of 2-butylsulfanyl-5-methylpyridine (CID 135224790) is 2-butylsulfanyl-5-methylpyridine.
What is the SMILES notation for 2-butylsulfanyl-5-methylpyridine?
The canonical SMILES for 2-butylsulfanyl-5-methylpyridine is CCCCSc1ccc(C)cn1.
What is the InChIKey of 2-butylsulfanyl-5-methylpyridine?
The InChIKey is KGBKDHHUCDDVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NS/c1-3-4-7-12-10-6-5-9(2)8-11-10/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of 2-butylsulfanyl-5-methylpyridine?
2-butylsulfanyl-5-methylpyridine has a molecular weight of 181.30 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylsulfanyl-5-methylpyridine is sourced from PubChem (CID 135224790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).