[5-(2-ethylsulfanylethoxy)-2-pyridinyl]methanol

C10H15NO2S — CID 75448192

IUPAC[5-(2-ethylsulfanylethoxy)-2-pyridinyl]methanol
SMILESCCSCCOc1ccc(CO)nc1
InChIInChI=1S/C10H15NO2S/c1-2-14-6-5-13-10-4-3-9(8-12)11-7-10/h3-4,7,12H,2,5-6,8H2,1H3
InChIKeyUSIBVBMYCHKWND-UHFFFAOYSA-N
MW213.30 g/mol
LogP1.71
Rot. Bonds6

About [5-(2-ethylsulfanylethoxy)-2-pyridinyl]methanol

[5-(2-ethylsulfanylethoxy)-2-pyridinyl]methanol (PubChem CID 75448192) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is [5-(2-ethylsulfanylethoxy)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[5-(2-ethylsulfanylethoxy)-2-pyridinyl]methanol
PubChem CID75448192
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name[5-(2-ethylsulfanylethoxy)-2-pyridinyl]methanol
SMILESCCSCCOc1ccc(CO)nc1
InChIInChI=1S/C10H15NO2S/c1-2-14-6-5-13-10-4-3-9(8-12)11-7-10/h3-4,7,12H,2,5-6,8H2,1H3
InChIKeyUSIBVBMYCHKWND-UHFFFAOYSA-N
XLogP1.71
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 [5-(2-ethylsulfanylethoxy)-2-pyridinyl]methanol?
The IUPAC name of [5-(2-ethylsulfanylethoxy)-2-pyridinyl]methanol (CID 75448192) is [5-(2-ethylsulfanylethoxy)-2-pyridinyl]methanol.
What is the SMILES notation for [5-(2-ethylsulfanylethoxy)-2-pyridinyl]methanol?
The canonical SMILES for [5-(2-ethylsulfanylethoxy)-2-pyridinyl]methanol is CCSCCOc1ccc(CO)nc1.
What is the InChIKey of [5-(2-ethylsulfanylethoxy)-2-pyridinyl]methanol?
The InChIKey is USIBVBMYCHKWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-2-14-6-5-13-10-4-3-9(8-12)11-7-10/h3-4,7,12H,2,5-6,8H2,1H3.
What are the key properties of [5-(2-ethylsulfanylethoxy)-2-pyridinyl]methanol?
[5-(2-ethylsulfanylethoxy)-2-pyridinyl]methanol has a molecular weight of 213.30 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-ethylsulfanylethoxy)-2-pyridinyl]methanol is sourced from PubChem (CID 75448192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).