2-(4-methylsulfanylphenoxy)acetohydrazide

C9H12N2O2S — CID 16656066

IUPAC2-(4-methylsulfanylphenoxy)acetohydrazide
SMILESCSc1ccc(OCC(=O)NN)cc1
InChIInChI=1S/C9H12N2O2S/c1-14-8-4-2-7(3-5-8)13-6-9(12)11-10/h2-5H,6,10H2,1H3,(H,11,12)
InChIKeyVMPPIIHVCCEESL-UHFFFAOYSA-N
MW212.27 g/mol
LogP0.78
Rot. Bonds4

About 2-(4-methylsulfanylphenoxy)acetohydrazide

2-(4-methylsulfanylphenoxy)acetohydrazide (PubChem CID 16656066) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is 2-(4-methylsulfanylphenoxy)acetohydrazide.

Molecular Properties

Compound Name2-(4-methylsulfanylphenoxy)acetohydrazide
PubChem CID16656066
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC Name2-(4-methylsulfanylphenoxy)acetohydrazide
SMILESCSc1ccc(OCC(=O)NN)cc1
InChIInChI=1S/C9H12N2O2S/c1-14-8-4-2-7(3-5-8)13-6-9(12)11-10/h2-5H,6,10H2,1H3,(H,11,12)
InChIKeyVMPPIIHVCCEESL-UHFFFAOYSA-N
XLogP0.78
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(4-methylsulfanylphenoxy)acetohydrazide 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

N-(2-hydroxyethyl)-2-(4-methylsulfanylphenoxy)acetamide
CID 63648820
2-[4-(trifluoromethylsulfanyl)phenoxy]acetohydrazide
CID 2800846
N-(3-methylbutan-2-yl)-2-(4-methylsulfanylphenoxy)acetamide
CID 134007912
2-(4-propan-2-ylphenoxy)acetohydrazide
CID 968935
2-(4-phenoxyphenoxy)acetohydrazide
CID 873173
4-(4-methylsulfanylphenoxy)pentanehydrazide
CID 55246737
2-(4-fluorophenoxy)-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide
CID 110790579
N-(2,6-dibromo-4-methylphenyl)-2-(4-methylsulfanylphenoxy)acetamide
CID 26217402
2-[4-(trifluoromethoxy)phenoxy]acetohydrazide
CID 2777305
N-[4-(difluoromethoxy)phenyl]-2-(4-methylsulfanylphenoxy)acetamide
CID 7893735
2,3-dihydroxybutanedioic acid;bis(2-(4-methylphenoxy)acetohydrazide)
CID 19169514
N-(2-chloro-4-methylphenyl)-2-(4-methylsulfanylphenoxy)acetamide
CID 7893677

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfanylphenoxy)acetohydrazide?
The IUPAC name of 2-(4-methylsulfanylphenoxy)acetohydrazide (CID 16656066) is 2-(4-methylsulfanylphenoxy)acetohydrazide.
What is the SMILES notation for 2-(4-methylsulfanylphenoxy)acetohydrazide?
The canonical SMILES for 2-(4-methylsulfanylphenoxy)acetohydrazide is CSc1ccc(OCC(=O)NN)cc1.
What is the InChIKey of 2-(4-methylsulfanylphenoxy)acetohydrazide?
The InChIKey is VMPPIIHVCCEESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S/c1-14-8-4-2-7(3-5-8)13-6-9(12)11-10/h2-5H,6,10H2,1H3,(H,11,12).
What are the key properties of 2-(4-methylsulfanylphenoxy)acetohydrazide?
2-(4-methylsulfanylphenoxy)acetohydrazide has a molecular weight of 212.27 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfanylphenoxy)acetohydrazide is sourced from PubChem (CID 16656066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).