2-butylsulfanyl-6-(chloromethyl)pyridine

C10H14ClNS — CID 151483030

IUPAC2-butylsulfanyl-6-(chloromethyl)pyridine
SMILESCCCCSc1cccc(CCl)n1
InChIInChI=1S/C10H14ClNS/c1-2-3-7-13-10-6-4-5-9(8-11)12-10/h4-6H,2-3,7-8H2,1H3
InChIKeyPMWAQHRZDKLBIO-UHFFFAOYSA-N
MW215.75 g/mol
LogP3.71
Rot. Bonds5

About 2-butylsulfanyl-6-(chloromethyl)pyridine

2-butylsulfanyl-6-(chloromethyl)pyridine (PubChem CID 151483030) has the molecular formula C10H14ClNS and a molecular weight of 215.75 g/mol. Its IUPAC name is 2-butylsulfanyl-6-(chloromethyl)pyridine.

Molecular Properties

Compound Name2-butylsulfanyl-6-(chloromethyl)pyridine
PubChem CID151483030
Molecular FormulaC10H14ClNS
Molecular Weight215.75 g/mol
Exact Mass215.05
IUPAC Name2-butylsulfanyl-6-(chloromethyl)pyridine
SMILESCCCCSc1cccc(CCl)n1
InChIInChI=1S/C10H14ClNS/c1-2-3-7-13-10-6-4-5-9(8-11)12-10/h4-6H,2-3,7-8H2,1H3
InChIKeyPMWAQHRZDKLBIO-UHFFFAOYSA-N
XLogP3.71
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.75
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-butylsulfanyl-6-(chloromethyl)pyridine?
The IUPAC name of 2-butylsulfanyl-6-(chloromethyl)pyridine (CID 151483030) is 2-butylsulfanyl-6-(chloromethyl)pyridine.
What is the SMILES notation for 2-butylsulfanyl-6-(chloromethyl)pyridine?
The canonical SMILES for 2-butylsulfanyl-6-(chloromethyl)pyridine is CCCCSc1cccc(CCl)n1.
What is the InChIKey of 2-butylsulfanyl-6-(chloromethyl)pyridine?
The InChIKey is PMWAQHRZDKLBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNS/c1-2-3-7-13-10-6-4-5-9(8-11)12-10/h4-6H,2-3,7-8H2,1H3.
What are the key properties of 2-butylsulfanyl-6-(chloromethyl)pyridine?
2-butylsulfanyl-6-(chloromethyl)pyridine has a molecular weight of 215.75 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylsulfanyl-6-(chloromethyl)pyridine is sourced from PubChem (CID 151483030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).