2,2-bis(ethylsulfanyl)acetohydrazide

C6H14N2OS2 — CID 1482293

IUPAC2,2-bis(ethylsulfanyl)acetohydrazide
SMILESCCSC(SCC)C(=O)NN
InChIInChI=1S/C6H14N2OS2/c1-3-10-6(11-4-2)5(9)8-7/h6H,3-4,7H2,1-2H3,(H,8,9)
InChIKeyOBFGBSJCCFXPRI-UHFFFAOYSA-N
MW194.32 g/mol
LogP0.81
Rot. Bonds5

About 2,2-bis(ethylsulfanyl)acetohydrazide

2,2-bis(ethylsulfanyl)acetohydrazide (PubChem CID 1482293) has the molecular formula C6H14N2OS2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 2,2-bis(ethylsulfanyl)acetohydrazide.

Molecular Properties

Compound Name2,2-bis(ethylsulfanyl)acetohydrazide
PubChem CID1482293
Molecular FormulaC6H14N2OS2
Molecular Weight194.32 g/mol
Exact Mass194.05
IUPAC Name2,2-bis(ethylsulfanyl)acetohydrazide
SMILESCCSC(SCC)C(=O)NN
InChIInChI=1S/C6H14N2OS2/c1-3-10-6(11-4-2)5(9)8-7/h6H,3-4,7H2,1-2H3,(H,8,9)
InChIKeyOBFGBSJCCFXPRI-UHFFFAOYSA-N
XLogP0.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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-bis(ethylsulfanyl)acetohydrazide?
The IUPAC name of 2,2-bis(ethylsulfanyl)acetohydrazide (CID 1482293) is 2,2-bis(ethylsulfanyl)acetohydrazide.
What is the SMILES notation for 2,2-bis(ethylsulfanyl)acetohydrazide?
The canonical SMILES for 2,2-bis(ethylsulfanyl)acetohydrazide is CCSC(SCC)C(=O)NN.
What is the InChIKey of 2,2-bis(ethylsulfanyl)acetohydrazide?
The InChIKey is OBFGBSJCCFXPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2OS2/c1-3-10-6(11-4-2)5(9)8-7/h6H,3-4,7H2,1-2H3,(H,8,9).
What are the key properties of 2,2-bis(ethylsulfanyl)acetohydrazide?
2,2-bis(ethylsulfanyl)acetohydrazide has a molecular weight of 194.32 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(ethylsulfanyl)acetohydrazide is sourced from PubChem (CID 1482293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).