ethyl-(2-hydrazinyl-2-oxoethyl)-methylsulfanium

C5H13N2OS+ — CID 4274287

IUPACethyl-(2-hydrazinyl-2-oxoethyl)-methylsulfanium
SMILESCC[S+](C)CC(=O)NN
InChIInChI=1S/C5H12N2OS/c1-3-9(2)4-5(8)7-6/h3-4,6H2,1-2H3/p+1
InChIKeyURINBSZKLHRBPP-UHFFFAOYSA-O
MW149.24 g/mol
LogP-0.76
Rot. Bonds3

About ethyl-(2-hydrazinyl-2-oxoethyl)-methylsulfanium

ethyl-(2-hydrazinyl-2-oxoethyl)-methylsulfanium (PubChem CID 4274287) has the molecular formula C5H13N2OS+ and a molecular weight of 149.24 g/mol. Its IUPAC name is ethyl-(2-hydrazinyl-2-oxoethyl)-methylsulfanium.

Molecular Properties

Compound Nameethyl-(2-hydrazinyl-2-oxoethyl)-methylsulfanium
PubChem CID4274287
Molecular FormulaC5H13N2OS+
Molecular Weight149.24 g/mol
Exact Mass149.07
IUPAC Nameethyl-(2-hydrazinyl-2-oxoethyl)-methylsulfanium
SMILESCC[S+](C)CC(=O)NN
InChIInChI=1S/C5H12N2OS/c1-3-9(2)4-5(8)7-6/h3-4,6H2,1-2H3/p+1
InChIKeyURINBSZKLHRBPP-UHFFFAOYSA-O
XLogP-0.76
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', '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 ethyl-(2-hydrazinyl-2-oxoethyl)-methylsulfanium?
The IUPAC name of ethyl-(2-hydrazinyl-2-oxoethyl)-methylsulfanium (CID 4274287) is ethyl-(2-hydrazinyl-2-oxoethyl)-methylsulfanium.
What is the SMILES notation for ethyl-(2-hydrazinyl-2-oxoethyl)-methylsulfanium?
The canonical SMILES for ethyl-(2-hydrazinyl-2-oxoethyl)-methylsulfanium is CC[S+](C)CC(=O)NN.
What is the InChIKey of ethyl-(2-hydrazinyl-2-oxoethyl)-methylsulfanium?
The InChIKey is URINBSZKLHRBPP-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H12N2OS/c1-3-9(2)4-5(8)7-6/h3-4,6H2,1-2H3/p+1.
What are the key properties of ethyl-(2-hydrazinyl-2-oxoethyl)-methylsulfanium?
ethyl-(2-hydrazinyl-2-oxoethyl)-methylsulfanium has a molecular weight of 149.24 g/mol, XLogP of -0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-(2-hydrazinyl-2-oxoethyl)-methylsulfanium is sourced from PubChem (CID 4274287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).