methyl 2-methyl-3-pyridazin-3-ylsulfanylpropanoate

C9H12N2O2S — CID 66115358

IUPACmethyl 2-methyl-3-pyridazin-3-ylsulfanylpropanoate
SMILESCOC(=O)C(C)CSc1cccnn1
InChIInChI=1S/C9H12N2O2S/c1-7(9(12)13-2)6-14-8-4-3-5-10-11-8/h3-5,7H,6H2,1-2H3
InChIKeyOZQOJKFGCTZLIO-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.38
Rot. Bonds4

About methyl 2-methyl-3-pyridazin-3-ylsulfanylpropanoate

methyl 2-methyl-3-pyridazin-3-ylsulfanylpropanoate (PubChem CID 66115358) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is methyl 2-methyl-3-pyridazin-3-ylsulfanylpropanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-pyridazin-3-ylsulfanylpropanoate
PubChem CID66115358
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC Namemethyl 2-methyl-3-pyridazin-3-ylsulfanylpropanoate
SMILESCOC(=O)C(C)CSc1cccnn1
InChIInChI=1S/C9H12N2O2S/c1-7(9(12)13-2)6-14-8-4-3-5-10-11-8/h3-5,7H,6H2,1-2H3
InChIKeyOZQOJKFGCTZLIO-UHFFFAOYSA-N
XLogP1.38
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-methyl-3-pyridazin-3-ylsulfanylpropanoate with MolForge

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

Launch Full Analysis

Related Compounds

methyl 3-[(3-carbamoyl-2-pyridinyl)sulfanyl]-2-methylpropanoate
CID 66112894
methyl 2-methyl-3-[(3-propan-2-yloxy-2-pyridinyl)sulfanyl]propanoate
CID 113370707
2-pyridazin-3-ylsulfanylpropanamide
CID 130614776
methyl (2R)-3-(2-methoxyphenyl)sulfanyl-2-methylpropanoate
CID 59809197
methyl 2-methyl-3-quinolin-4-ylsulfanylpropanoate
CID 66115356
methyl 3-(4-hydroxyphenyl)sulfanyl-2-methylpropanoate
CID 61030599
methyl 3-hydroxy-2-(pyridazin-3-ylamino)propanoate
CID 114998596
pyridazin-3-ylsulfanylmethanamine
CID 175125589
methyl 3-[(6-amino-5-nitro-2-pyridinyl)sulfanyl]-2-methylpropanoate
CID 79828136
ethyl 6-(3-methoxy-2-methyl-3-oxopropyl)sulfanylpyridine-3-carboxylate
CID 66116248
1-methyl-3-(3-pyridazin-3-ylsulfanylpropylsulfanyl)urea
CID 88761092
methyl 2-methyl-3-[(6-methyl-5-nitro-2-pyridinyl)sulfanyl]propanoate
CID 80711867

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-pyridazin-3-ylsulfanylpropanoate?
The IUPAC name of methyl 2-methyl-3-pyridazin-3-ylsulfanylpropanoate (CID 66115358) is methyl 2-methyl-3-pyridazin-3-ylsulfanylpropanoate.
What is the SMILES notation for methyl 2-methyl-3-pyridazin-3-ylsulfanylpropanoate?
The canonical SMILES for methyl 2-methyl-3-pyridazin-3-ylsulfanylpropanoate is COC(=O)C(C)CSc1cccnn1.
What is the InChIKey of methyl 2-methyl-3-pyridazin-3-ylsulfanylpropanoate?
The InChIKey is OZQOJKFGCTZLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S/c1-7(9(12)13-2)6-14-8-4-3-5-10-11-8/h3-5,7H,6H2,1-2H3.
What are the key properties of methyl 2-methyl-3-pyridazin-3-ylsulfanylpropanoate?
methyl 2-methyl-3-pyridazin-3-ylsulfanylpropanoate has a molecular weight of 212.27 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-pyridazin-3-ylsulfanylpropanoate is sourced from PubChem (CID 66115358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).