2-(2,3,4-trimethylphenyl)sulfanylacetohydrazide

C11H16N2OS — CID 118329488

IUPAC2-(2,3,4-trimethylphenyl)sulfanylacetohydrazide
SMILESCc1ccc(SCC(=O)NN)c(C)c1C
InChIInChI=1S/C11H16N2OS/c1-7-4-5-10(9(3)8(7)2)15-6-11(14)13-12/h4-5H,6,12H2,1-3H3,(H,13,14)
InChIKeyVCPFUXKNDJQFHY-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.69
Rot. Bonds3

About 2-(2,3,4-trimethylphenyl)sulfanylacetohydrazide

2-(2,3,4-trimethylphenyl)sulfanylacetohydrazide (PubChem CID 118329488) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 2-(2,3,4-trimethylphenyl)sulfanylacetohydrazide.

Molecular Properties

Compound Name2-(2,3,4-trimethylphenyl)sulfanylacetohydrazide
PubChem CID118329488
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name2-(2,3,4-trimethylphenyl)sulfanylacetohydrazide
SMILESCc1ccc(SCC(=O)NN)c(C)c1C
InChIInChI=1S/C11H16N2OS/c1-7-4-5-10(9(3)8(7)2)15-6-11(14)13-12/h4-5H,6,12H2,1-3H3,(H,13,14)
InChIKeyVCPFUXKNDJQFHY-UHFFFAOYSA-N
XLogP1.69
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.69
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-(2,3,4-trimethylphenyl)sulfanylacetohydrazide?
The IUPAC name of 2-(2,3,4-trimethylphenyl)sulfanylacetohydrazide (CID 118329488) is 2-(2,3,4-trimethylphenyl)sulfanylacetohydrazide.
What is the SMILES notation for 2-(2,3,4-trimethylphenyl)sulfanylacetohydrazide?
The canonical SMILES for 2-(2,3,4-trimethylphenyl)sulfanylacetohydrazide is Cc1ccc(SCC(=O)NN)c(C)c1C.
What is the InChIKey of 2-(2,3,4-trimethylphenyl)sulfanylacetohydrazide?
The InChIKey is VCPFUXKNDJQFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-7-4-5-10(9(3)8(7)2)15-6-11(14)13-12/h4-5H,6,12H2,1-3H3,(H,13,14).
What are the key properties of 2-(2,3,4-trimethylphenyl)sulfanylacetohydrazide?
2-(2,3,4-trimethylphenyl)sulfanylacetohydrazide has a molecular weight of 224.33 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4-trimethylphenyl)sulfanylacetohydrazide is sourced from PubChem (CID 118329488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).