methyl 2-[[(4-methylphenyl)hydrazinylidene]methylsulfanyl]acetate

C11H14N2O2S — CID 71411757

IUPACmethyl 2-[[(4-methylphenyl)hydrazinylidene]methylsulfanyl]acetate
SMILESCOC(=O)CSC=NNc1ccc(C)cc1
InChIInChI=1S/C11H14N2O2S/c1-9-3-5-10(6-4-9)13-12-8-16-7-11(14)15-2/h3-6,8,13H,7H2,1-2H3
InChIKeyVZAYLEPNMGYJLI-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.26
Rot. Bonds5

About methyl 2-[[(4-methylphenyl)hydrazinylidene]methylsulfanyl]acetate

methyl 2-[[(4-methylphenyl)hydrazinylidene]methylsulfanyl]acetate (PubChem CID 71411757) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is methyl 2-[[(4-methylphenyl)hydrazinylidene]methylsulfanyl]acetate.

Molecular Properties

Compound Namemethyl 2-[[(4-methylphenyl)hydrazinylidene]methylsulfanyl]acetate
PubChem CID71411757
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC Namemethyl 2-[[(4-methylphenyl)hydrazinylidene]methylsulfanyl]acetate
SMILESCOC(=O)CSC=NNc1ccc(C)cc1
InChIInChI=1S/C11H14N2O2S/c1-9-3-5-10(6-4-9)13-12-8-16-7-11(14)15-2/h3-6,8,13H,7H2,1-2H3
InChIKeyVZAYLEPNMGYJLI-UHFFFAOYSA-N
XLogP2.26
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(4-methylphenyl)hydrazinylidene]methylsulfanyl]acetate?
The IUPAC name of methyl 2-[[(4-methylphenyl)hydrazinylidene]methylsulfanyl]acetate (CID 71411757) is methyl 2-[[(4-methylphenyl)hydrazinylidene]methylsulfanyl]acetate.
What is the SMILES notation for methyl 2-[[(4-methylphenyl)hydrazinylidene]methylsulfanyl]acetate?
The canonical SMILES for methyl 2-[[(4-methylphenyl)hydrazinylidene]methylsulfanyl]acetate is COC(=O)CSC=NNc1ccc(C)cc1.
What is the InChIKey of methyl 2-[[(4-methylphenyl)hydrazinylidene]methylsulfanyl]acetate?
The InChIKey is VZAYLEPNMGYJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c1-9-3-5-10(6-4-9)13-12-8-16-7-11(14)15-2/h3-6,8,13H,7H2,1-2H3.
What are the key properties of methyl 2-[[(4-methylphenyl)hydrazinylidene]methylsulfanyl]acetate?
methyl 2-[[(4-methylphenyl)hydrazinylidene]methylsulfanyl]acetate has a molecular weight of 238.31 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(4-methylphenyl)hydrazinylidene]methylsulfanyl]acetate is sourced from PubChem (CID 71411757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).