methyl 2-(6-chloro-4,5-dimethylpyridazin-3-yl)sulfanylacetate

C9H11ClN2O2S — CID 63272670

IUPACmethyl 2-(6-chloro-4,5-dimethylpyridazin-3-yl)sulfanylacetate
SMILESCOC(=O)CSc1nnc(Cl)c(C)c1C
InChIInChI=1S/C9H11ClN2O2S/c1-5-6(2)9(12-11-8(5)10)15-4-7(13)14-3/h4H2,1-3H3
InChIKeyVCNDTWWEGXTYBH-UHFFFAOYSA-N
MW246.72 g/mol
LogP2.01
Rot. Bonds3

About methyl 2-(6-chloro-4,5-dimethylpyridazin-3-yl)sulfanylacetate

methyl 2-(6-chloro-4,5-dimethylpyridazin-3-yl)sulfanylacetate (PubChem CID 63272670) has the molecular formula C9H11ClN2O2S and a molecular weight of 246.72 g/mol. Its IUPAC name is methyl 2-(6-chloro-4,5-dimethylpyridazin-3-yl)sulfanylacetate.

Molecular Properties

Compound Namemethyl 2-(6-chloro-4,5-dimethylpyridazin-3-yl)sulfanylacetate
PubChem CID63272670
Molecular FormulaC9H11ClN2O2S
Molecular Weight246.72 g/mol
Exact Mass246.02
IUPAC Namemethyl 2-(6-chloro-4,5-dimethylpyridazin-3-yl)sulfanylacetate
SMILESCOC(=O)CSc1nnc(Cl)c(C)c1C
InChIInChI=1S/C9H11ClN2O2S/c1-5-6(2)9(12-11-8(5)10)15-4-7(13)14-3/h4H2,1-3H3
InChIKeyVCNDTWWEGXTYBH-UHFFFAOYSA-N
XLogP2.01
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.72
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-chloro-4,5-dimethylpyridazin-3-yl)sulfanylacetate?
The IUPAC name of methyl 2-(6-chloro-4,5-dimethylpyridazin-3-yl)sulfanylacetate (CID 63272670) is methyl 2-(6-chloro-4,5-dimethylpyridazin-3-yl)sulfanylacetate.
What is the SMILES notation for methyl 2-(6-chloro-4,5-dimethylpyridazin-3-yl)sulfanylacetate?
The canonical SMILES for methyl 2-(6-chloro-4,5-dimethylpyridazin-3-yl)sulfanylacetate is COC(=O)CSc1nnc(Cl)c(C)c1C.
What is the InChIKey of methyl 2-(6-chloro-4,5-dimethylpyridazin-3-yl)sulfanylacetate?
The InChIKey is VCNDTWWEGXTYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2S/c1-5-6(2)9(12-11-8(5)10)15-4-7(13)14-3/h4H2,1-3H3.
What are the key properties of methyl 2-(6-chloro-4,5-dimethylpyridazin-3-yl)sulfanylacetate?
methyl 2-(6-chloro-4,5-dimethylpyridazin-3-yl)sulfanylacetate has a molecular weight of 246.72 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-chloro-4,5-dimethylpyridazin-3-yl)sulfanylacetate is sourced from PubChem (CID 63272670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).