methyl 2-(2-hydrazinyl-2-oxoethyl)sulfanylacetate

C5H10N2O3S — CID 63582327

IUPACmethyl 2-(2-hydrazinyl-2-oxoethyl)sulfanylacetate
SMILESCOC(=O)CSCC(=O)NN
InChIInChI=1S/C5H10N2O3S/c1-10-5(9)3-11-2-4(8)7-6/h2-3,6H2,1H3,(H,7,8)
InChIKeyZPRARAICGOKLCB-UHFFFAOYSA-N
MW178.21 g/mol
LogP-1.12
Rot. Bonds4

About methyl 2-(2-hydrazinyl-2-oxoethyl)sulfanylacetate

methyl 2-(2-hydrazinyl-2-oxoethyl)sulfanylacetate (PubChem CID 63582327) has the molecular formula C5H10N2O3S and a molecular weight of 178.21 g/mol. Its IUPAC name is methyl 2-(2-hydrazinyl-2-oxoethyl)sulfanylacetate.

Molecular Properties

Compound Namemethyl 2-(2-hydrazinyl-2-oxoethyl)sulfanylacetate
PubChem CID63582327
Molecular FormulaC5H10N2O3S
Molecular Weight178.21 g/mol
Exact Mass178.04
IUPAC Namemethyl 2-(2-hydrazinyl-2-oxoethyl)sulfanylacetate
SMILESCOC(=O)CSCC(=O)NN
InChIInChI=1S/C5H10N2O3S/c1-10-5(9)3-11-2-4(8)7-6/h2-3,6H2,1H3,(H,7,8)
InChIKeyZPRARAICGOKLCB-UHFFFAOYSA-N
XLogP-1.12
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 5-1.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 methyl 2-(2-hydrazinyl-2-oxoethyl)sulfanylacetate?
The IUPAC name of methyl 2-(2-hydrazinyl-2-oxoethyl)sulfanylacetate (CID 63582327) is methyl 2-(2-hydrazinyl-2-oxoethyl)sulfanylacetate.
What is the SMILES notation for methyl 2-(2-hydrazinyl-2-oxoethyl)sulfanylacetate?
The canonical SMILES for methyl 2-(2-hydrazinyl-2-oxoethyl)sulfanylacetate is COC(=O)CSCC(=O)NN.
What is the InChIKey of methyl 2-(2-hydrazinyl-2-oxoethyl)sulfanylacetate?
The InChIKey is ZPRARAICGOKLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O3S/c1-10-5(9)3-11-2-4(8)7-6/h2-3,6H2,1H3,(H,7,8).
What are the key properties of methyl 2-(2-hydrazinyl-2-oxoethyl)sulfanylacetate?
methyl 2-(2-hydrazinyl-2-oxoethyl)sulfanylacetate has a molecular weight of 178.21 g/mol, XLogP of -1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-hydrazinyl-2-oxoethyl)sulfanylacetate is sourced from PubChem (CID 63582327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).