2-[2-(6-chloropyridazin-3-yl)sulfanylethyl]phenol

C12H11ClN2OS — CID 10445669

IUPAC2-[2-(6-chloropyridazin-3-yl)sulfanylethyl]phenol
SMILESOc1ccccc1CCSc1ccc(Cl)nn1
InChIInChI=1S/C12H11ClN2OS/c13-11-5-6-12(15-14-11)17-8-7-9-3-1-2-4-10(9)16/h1-6,16H,7-8H2
InChIKeyHQDNGPOSAVCPEZ-UHFFFAOYSA-N
MW266.75 g/mol
LogP3.17
Rot. Bonds4

About 2-[2-(6-chloropyridazin-3-yl)sulfanylethyl]phenol

2-[2-(6-chloropyridazin-3-yl)sulfanylethyl]phenol (PubChem CID 10445669) has the molecular formula C12H11ClN2OS and a molecular weight of 266.75 g/mol. Its IUPAC name is 2-[2-(6-chloropyridazin-3-yl)sulfanylethyl]phenol.

Molecular Properties

Compound Name2-[2-(6-chloropyridazin-3-yl)sulfanylethyl]phenol
PubChem CID10445669
Molecular FormulaC12H11ClN2OS
Molecular Weight266.75 g/mol
Exact Mass266.03
IUPAC Name2-[2-(6-chloropyridazin-3-yl)sulfanylethyl]phenol
SMILESOc1ccccc1CCSc1ccc(Cl)nn1
InChIInChI=1S/C12H11ClN2OS/c13-11-5-6-12(15-14-11)17-8-7-9-3-1-2-4-10(9)16/h1-6,16H,7-8H2
InChIKeyHQDNGPOSAVCPEZ-UHFFFAOYSA-N
XLogP3.17
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.75
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(6-chloropyridazin-3-yl)sulfanylethyl]phenol?
The IUPAC name of 2-[2-(6-chloropyridazin-3-yl)sulfanylethyl]phenol (CID 10445669) is 2-[2-(6-chloropyridazin-3-yl)sulfanylethyl]phenol.
What is the SMILES notation for 2-[2-(6-chloropyridazin-3-yl)sulfanylethyl]phenol?
The canonical SMILES for 2-[2-(6-chloropyridazin-3-yl)sulfanylethyl]phenol is Oc1ccccc1CCSc1ccc(Cl)nn1.
What is the InChIKey of 2-[2-(6-chloropyridazin-3-yl)sulfanylethyl]phenol?
The InChIKey is HQDNGPOSAVCPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2OS/c13-11-5-6-12(15-14-11)17-8-7-9-3-1-2-4-10(9)16/h1-6,16H,7-8H2.
What are the key properties of 2-[2-(6-chloropyridazin-3-yl)sulfanylethyl]phenol?
2-[2-(6-chloropyridazin-3-yl)sulfanylethyl]phenol has a molecular weight of 266.75 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6-chloropyridazin-3-yl)sulfanylethyl]phenol is sourced from PubChem (CID 10445669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).