2-(6-chloropyridazin-3-yl)sulfanylethanol

C6H7ClN2OS — CID 13052629

IUPAC2-(6-chloropyridazin-3-yl)sulfanylethanol
SMILESOCCSc1ccc(Cl)nn1
InChIInChI=1S/C6H7ClN2OS/c7-5-1-2-6(9-8-5)11-4-3-10/h1-2,10H,3-4H2
InChIKeyBZISGAOCRJTPAN-UHFFFAOYSA-N
MW190.66 g/mol
LogP1.21
Rot. Bonds3

About 2-(6-chloropyridazin-3-yl)sulfanylethanol

2-(6-chloropyridazin-3-yl)sulfanylethanol (PubChem CID 13052629) has the molecular formula C6H7ClN2OS and a molecular weight of 190.66 g/mol. Its IUPAC name is 2-(6-chloropyridazin-3-yl)sulfanylethanol.

Molecular Properties

Compound Name2-(6-chloropyridazin-3-yl)sulfanylethanol
PubChem CID13052629
Molecular FormulaC6H7ClN2OS
Molecular Weight190.66 g/mol
Exact Mass190.00
IUPAC Name2-(6-chloropyridazin-3-yl)sulfanylethanol
SMILESOCCSc1ccc(Cl)nn1
InChIInChI=1S/C6H7ClN2OS/c7-5-1-2-6(9-8-5)11-4-3-10/h1-2,10H,3-4H2
InChIKeyBZISGAOCRJTPAN-UHFFFAOYSA-N
XLogP1.21
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.66
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloropyridazin-3-yl)sulfanylethanol?
The IUPAC name of 2-(6-chloropyridazin-3-yl)sulfanylethanol (CID 13052629) is 2-(6-chloropyridazin-3-yl)sulfanylethanol.
What is the SMILES notation for 2-(6-chloropyridazin-3-yl)sulfanylethanol?
The canonical SMILES for 2-(6-chloropyridazin-3-yl)sulfanylethanol is OCCSc1ccc(Cl)nn1.
What is the InChIKey of 2-(6-chloropyridazin-3-yl)sulfanylethanol?
The InChIKey is BZISGAOCRJTPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2OS/c7-5-1-2-6(9-8-5)11-4-3-10/h1-2,10H,3-4H2.
What are the key properties of 2-(6-chloropyridazin-3-yl)sulfanylethanol?
2-(6-chloropyridazin-3-yl)sulfanylethanol has a molecular weight of 190.66 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloropyridazin-3-yl)sulfanylethanol is sourced from PubChem (CID 13052629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).