2-pyridin-2-ylsulfanylethanol

C7H9NOS — CID 2774933

IUPAC2-pyridin-2-ylsulfanylethanol
SMILESOCCSc1ccccn1
InChIInChI=1S/C7H9NOS/c9-5-6-10-7-3-1-2-4-8-7/h1-4,9H,5-6H2
InChIKeyVKXCZEICJYQFIT-UHFFFAOYSA-N
MW155.22 g/mol
LogP1.17
Rot. Bonds3

About 2-pyridin-2-ylsulfanylethanol

2-pyridin-2-ylsulfanylethanol (PubChem CID 2774933) has the molecular formula C7H9NOS and a molecular weight of 155.22 g/mol. Its IUPAC name is 2-pyridin-2-ylsulfanylethanol.

Molecular Properties

Compound Name2-pyridin-2-ylsulfanylethanol
PubChem CID2774933
Molecular FormulaC7H9NOS
Molecular Weight155.22 g/mol
Exact Mass155.04
IUPAC Name2-pyridin-2-ylsulfanylethanol
SMILESOCCSc1ccccn1
InChIInChI=1S/C7H9NOS/c9-5-6-10-7-3-1-2-4-8-7/h1-4,9H,5-6H2
InChIKeyVKXCZEICJYQFIT-UHFFFAOYSA-N
XLogP1.17
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-ylsulfanylethanol?
The IUPAC name of 2-pyridin-2-ylsulfanylethanol (CID 2774933) is 2-pyridin-2-ylsulfanylethanol.
What is the SMILES notation for 2-pyridin-2-ylsulfanylethanol?
The canonical SMILES for 2-pyridin-2-ylsulfanylethanol is OCCSc1ccccn1.
What is the InChIKey of 2-pyridin-2-ylsulfanylethanol?
The InChIKey is VKXCZEICJYQFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NOS/c9-5-6-10-7-3-1-2-4-8-7/h1-4,9H,5-6H2.
What are the key properties of 2-pyridin-2-ylsulfanylethanol?
2-pyridin-2-ylsulfanylethanol has a molecular weight of 155.22 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-ylsulfanylethanol is sourced from PubChem (CID 2774933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).