3-ethylsulfanyl-1,6-dimethyl-2H-pyridine

C9H15NS — CID 143707852

IUPAC3-ethylsulfanyl-1,6-dimethyl-2H-pyridine
SMILESCCSC1=CC=C(C)N(C)C1
InChIInChI=1S/C9H15NS/c1-4-11-9-6-5-8(2)10(3)7-9/h5-6H,4,7H2,1-3H3
InChIKeyHKVZZTBJOOBVKI-UHFFFAOYSA-N
MW169.29 g/mol
LogP2.47
Rot. Bonds2

About 3-ethylsulfanyl-1,6-dimethyl-2H-pyridine

3-ethylsulfanyl-1,6-dimethyl-2H-pyridine (PubChem CID 143707852) has the molecular formula C9H15NS and a molecular weight of 169.29 g/mol. Its IUPAC name is 3-ethylsulfanyl-1,6-dimethyl-2H-pyridine.

Molecular Properties

Compound Name3-ethylsulfanyl-1,6-dimethyl-2H-pyridine
PubChem CID143707852
Molecular FormulaC9H15NS
Molecular Weight169.29 g/mol
Exact Mass169.09
IUPAC Name3-ethylsulfanyl-1,6-dimethyl-2H-pyridine
SMILESCCSC1=CC=C(C)N(C)C1
InChIInChI=1S/C9H15NS/c1-4-11-9-6-5-8(2)10(3)7-9/h5-6H,4,7H2,1-3H3
InChIKeyHKVZZTBJOOBVKI-UHFFFAOYSA-N
XLogP2.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-1,6-dimethyl-2H-pyridine?
The IUPAC name of 3-ethylsulfanyl-1,6-dimethyl-2H-pyridine (CID 143707852) is 3-ethylsulfanyl-1,6-dimethyl-2H-pyridine.
What is the SMILES notation for 3-ethylsulfanyl-1,6-dimethyl-2H-pyridine?
The canonical SMILES for 3-ethylsulfanyl-1,6-dimethyl-2H-pyridine is CCSC1=CC=C(C)N(C)C1.
What is the InChIKey of 3-ethylsulfanyl-1,6-dimethyl-2H-pyridine?
The InChIKey is HKVZZTBJOOBVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NS/c1-4-11-9-6-5-8(2)10(3)7-9/h5-6H,4,7H2,1-3H3.
What are the key properties of 3-ethylsulfanyl-1,6-dimethyl-2H-pyridine?
3-ethylsulfanyl-1,6-dimethyl-2H-pyridine has a molecular weight of 169.29 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-1,6-dimethyl-2H-pyridine is sourced from PubChem (CID 143707852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).