2-(2-methylsulfonylethylsulfanyl)acetohydrazide

C5H12N2O3S2 — CID 63658913

IUPAC2-(2-methylsulfonylethylsulfanyl)acetohydrazide
SMILESCS(=O)(=O)CCSCC(=O)NN
InChIInChI=1S/C5H12N2O3S2/c1-12(9,10)3-2-11-4-5(8)7-6/h2-4,6H2,1H3,(H,7,8)
InChIKeyWRKZNAXXAIZBNH-UHFFFAOYSA-N
MW212.30 g/mol
LogP-1.25
Rot. Bonds5

About 2-(2-methylsulfonylethylsulfanyl)acetohydrazide

2-(2-methylsulfonylethylsulfanyl)acetohydrazide (PubChem CID 63658913) has the molecular formula C5H12N2O3S2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 2-(2-methylsulfonylethylsulfanyl)acetohydrazide.

Molecular Properties

Compound Name2-(2-methylsulfonylethylsulfanyl)acetohydrazide
PubChem CID63658913
Molecular FormulaC5H12N2O3S2
Molecular Weight212.30 g/mol
Exact Mass212.03
IUPAC Name2-(2-methylsulfonylethylsulfanyl)acetohydrazide
SMILESCS(=O)(=O)CCSCC(=O)NN
InChIInChI=1S/C5H12N2O3S2/c1-12(9,10)3-2-11-4-5(8)7-6/h2-4,6H2,1H3,(H,7,8)
InChIKeyWRKZNAXXAIZBNH-UHFFFAOYSA-N
XLogP-1.25
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 5-1.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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-methylsulfonylethylsulfanyl)acetohydrazide?
The IUPAC name of 2-(2-methylsulfonylethylsulfanyl)acetohydrazide (CID 63658913) is 2-(2-methylsulfonylethylsulfanyl)acetohydrazide.
What is the SMILES notation for 2-(2-methylsulfonylethylsulfanyl)acetohydrazide?
The canonical SMILES for 2-(2-methylsulfonylethylsulfanyl)acetohydrazide is CS(=O)(=O)CCSCC(=O)NN.
What is the InChIKey of 2-(2-methylsulfonylethylsulfanyl)acetohydrazide?
The InChIKey is WRKZNAXXAIZBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O3S2/c1-12(9,10)3-2-11-4-5(8)7-6/h2-4,6H2,1H3,(H,7,8).
What are the key properties of 2-(2-methylsulfonylethylsulfanyl)acetohydrazide?
2-(2-methylsulfonylethylsulfanyl)acetohydrazide has a molecular weight of 212.30 g/mol, XLogP of -1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfonylethylsulfanyl)acetohydrazide is sourced from PubChem (CID 63658913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).