1-(3-ethylsulfanyl-2-pyridinyl)ethanol

C9H13NOS — CID 145375524

IUPAC1-(3-ethylsulfanyl-2-pyridinyl)ethanol
SMILESCCSc1cccnc1C(C)O
InChIInChI=1S/C9H13NOS/c1-3-12-8-5-4-6-10-9(8)7(2)11/h4-7,11H,3H2,1-2H3
InChIKeyIRBUFZOEECDHSE-UHFFFAOYSA-N
MW183.28 g/mol
LogP2.25
Rot. Bonds3

About 1-(3-ethylsulfanyl-2-pyridinyl)ethanol

1-(3-ethylsulfanyl-2-pyridinyl)ethanol (PubChem CID 145375524) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is 1-(3-ethylsulfanyl-2-pyridinyl)ethanol.

Molecular Properties

Compound Name1-(3-ethylsulfanyl-2-pyridinyl)ethanol
PubChem CID145375524
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC Name1-(3-ethylsulfanyl-2-pyridinyl)ethanol
SMILESCCSc1cccnc1C(C)O
InChIInChI=1S/C9H13NOS/c1-3-12-8-5-4-6-10-9(8)7(2)11/h4-7,11H,3H2,1-2H3
InChIKeyIRBUFZOEECDHSE-UHFFFAOYSA-N
XLogP2.25
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethylsulfanyl-2-pyridinyl)propan-1-one
CID 129177668
ethane;3-ethylsulfanyl-2-methylpyridine
CID 142913740
1-[3-(1-aminoethyl)-2-pyridinyl]ethanol
CID 123838969
3-methylsulfanyl-2-propan-2-ylpyridine
CID 18741288
2,3-di(propan-2-yl)pyridine;ethanol
CID 159072457
5,6-bis(ethylsulfanyl)quinoline
CID 10848255
N-[2-(1-hydroxyethyl)-3-pyridinyl]acetamide
CID 133062279
2-methyl-1-(3-methyl-2-pyridinyl)pentan-1-ol
CID 107892875
3-(3-ethylsulfanyl-2-pyridinyl)-1H-pyridazin-6-one
CID 129177659
1-(3-ethyl-2-pyridinyl)-2-methylpentan-1-ol
CID 107893026
1-[2-(2-ethylsulfanyl-6-fluorophenyl)-1,3-thiazol-5-yl]ethanol
CID 113386054
(1R)-1-(2-pyrimidin-2-ylsulfanylphenyl)ethanol
CID 78952097

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylsulfanyl-2-pyridinyl)ethanol?
The IUPAC name of 1-(3-ethylsulfanyl-2-pyridinyl)ethanol (CID 145375524) is 1-(3-ethylsulfanyl-2-pyridinyl)ethanol.
What is the SMILES notation for 1-(3-ethylsulfanyl-2-pyridinyl)ethanol?
The canonical SMILES for 1-(3-ethylsulfanyl-2-pyridinyl)ethanol is CCSc1cccnc1C(C)O.
What is the InChIKey of 1-(3-ethylsulfanyl-2-pyridinyl)ethanol?
The InChIKey is IRBUFZOEECDHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS/c1-3-12-8-5-4-6-10-9(8)7(2)11/h4-7,11H,3H2,1-2H3.
What are the key properties of 1-(3-ethylsulfanyl-2-pyridinyl)ethanol?
1-(3-ethylsulfanyl-2-pyridinyl)ethanol has a molecular weight of 183.28 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylsulfanyl-2-pyridinyl)ethanol is sourced from PubChem (CID 145375524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).