3-tert-butylsulfanyl-6-chloropyridazine

C8H11ClN2S — CID 22425630

IUPAC3-tert-butylsulfanyl-6-chloropyridazine
SMILESCC(C)(C)Sc1ccc(Cl)nn1
InChIInChI=1S/C8H11ClN2S/c1-8(2,3)12-7-5-4-6(9)10-11-7/h4-5H,1-3H3
InChIKeyDZTMICMUZNZRJX-UHFFFAOYSA-N
MW202.71 g/mol
LogP3.02
Rot. Bonds1

About 3-tert-butylsulfanyl-6-chloropyridazine

3-tert-butylsulfanyl-6-chloropyridazine (PubChem CID 22425630) has the molecular formula C8H11ClN2S and a molecular weight of 202.71 g/mol. Its IUPAC name is 3-tert-butylsulfanyl-6-chloropyridazine.

Molecular Properties

Compound Name3-tert-butylsulfanyl-6-chloropyridazine
PubChem CID22425630
Molecular FormulaC8H11ClN2S
Molecular Weight202.71 g/mol
Exact Mass202.03
IUPAC Name3-tert-butylsulfanyl-6-chloropyridazine
SMILESCC(C)(C)Sc1ccc(Cl)nn1
InChIInChI=1S/C8H11ClN2S/c1-8(2,3)12-7-5-4-6(9)10-11-7/h4-5H,1-3H3
InChIKeyDZTMICMUZNZRJX-UHFFFAOYSA-N
XLogP3.02
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.71
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-tert-butylsulfanyl-6-chloropyridazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-tert-butylsulfanyl-6-chloropyridazine?
The IUPAC name of 3-tert-butylsulfanyl-6-chloropyridazine (CID 22425630) is 3-tert-butylsulfanyl-6-chloropyridazine.
What is the SMILES notation for 3-tert-butylsulfanyl-6-chloropyridazine?
The canonical SMILES for 3-tert-butylsulfanyl-6-chloropyridazine is CC(C)(C)Sc1ccc(Cl)nn1.
What is the InChIKey of 3-tert-butylsulfanyl-6-chloropyridazine?
The InChIKey is DZTMICMUZNZRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2S/c1-8(2,3)12-7-5-4-6(9)10-11-7/h4-5H,1-3H3.
What are the key properties of 3-tert-butylsulfanyl-6-chloropyridazine?
3-tert-butylsulfanyl-6-chloropyridazine has a molecular weight of 202.71 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butylsulfanyl-6-chloropyridazine is sourced from PubChem (CID 22425630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).