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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Related Compounds

methyl 2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)sulfanylacetate
CID 80978520
methyl 2-[(4-chloro-1,2,5-thiadiazol-3-yl)sulfanyl]acetate
CID 43808375
3-chloro-6-(2-methoxyethylsulfanyl)-4,5-dimethylpyridazine
CID 63272578
methyl 2-[(3-carbamoyl-4,5,6-trimethyl-2-pyridinyl)sulfanyl]acetate
CID 2108154
methyl 2-(6-amino-3-chloro-5-formylpyrazin-2-yl)sulfanylacetate
CID 13389078
methyl 2-(6-chloro-5-nitropyrimidin-4-yl)sulfanylacetate
CID 62102190
methyl 2-[(2,6-dichloro-4-pyridinyl)sulfanyl]acetate
CID 4053646
methyl 2-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]sulfanyl]acetate
CID 102761391
methyl 2-(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate
CID 1463190
methyl 2-[2-tert-butyl-5-methyl-6-(methylamino)pyrimidin-4-yl]sulfanylacetate
CID 80991435
methyl 2-(6,8-dichloroquinazolin-4-yl)sulfanylacetate
CID 132587371
methyl 2-[3-amino-5-(2-methoxy-2-oxoethyl)sulfanyl-1,2,4-triazol-4-yl]acetate
CID 9145975

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).