2-(4-methylsulfanylphenyl)acetohydrazide

C9H12N2OS — CID 91620078

IUPAC2-(4-methylsulfanylphenyl)acetohydrazide
SMILESCSc1ccc(CC(=O)NN)cc1
InChIInChI=1S/C9H12N2OS/c1-13-8-4-2-7(3-5-8)6-9(12)11-10/h2-5H,6,10H2,1H3,(H,11,12)
InChIKeyILDRTWGLAFALGR-UHFFFAOYSA-N
MW196.28 g/mol
LogP0.94
Rot. Bonds3

About 2-(4-methylsulfanylphenyl)acetohydrazide

2-(4-methylsulfanylphenyl)acetohydrazide (PubChem CID 91620078) has the molecular formula C9H12N2OS and a molecular weight of 196.28 g/mol. Its IUPAC name is 2-(4-methylsulfanylphenyl)acetohydrazide.

Molecular Properties

Compound Name2-(4-methylsulfanylphenyl)acetohydrazide
PubChem CID91620078
Molecular FormulaC9H12N2OS
Molecular Weight196.28 g/mol
Exact Mass196.07
IUPAC Name2-(4-methylsulfanylphenyl)acetohydrazide
SMILESCSc1ccc(CC(=O)NN)cc1
InChIInChI=1S/C9H12N2OS/c1-13-8-4-2-7(3-5-8)6-9(12)11-10/h2-5H,6,10H2,1H3,(H,11,12)
InChIKeyILDRTWGLAFALGR-UHFFFAOYSA-N
XLogP0.94
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.28
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfanylphenyl)acetohydrazide?
The IUPAC name of 2-(4-methylsulfanylphenyl)acetohydrazide (CID 91620078) is 2-(4-methylsulfanylphenyl)acetohydrazide.
What is the SMILES notation for 2-(4-methylsulfanylphenyl)acetohydrazide?
The canonical SMILES for 2-(4-methylsulfanylphenyl)acetohydrazide is CSc1ccc(CC(=O)NN)cc1.
What is the InChIKey of 2-(4-methylsulfanylphenyl)acetohydrazide?
The InChIKey is ILDRTWGLAFALGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c1-13-8-4-2-7(3-5-8)6-9(12)11-10/h2-5H,6,10H2,1H3,(H,11,12).
What are the key properties of 2-(4-methylsulfanylphenyl)acetohydrazide?
2-(4-methylsulfanylphenyl)acetohydrazide has a molecular weight of 196.28 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfanylphenyl)acetohydrazide is sourced from PubChem (CID 91620078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).