ethyl (2R)-2-(2-hydroxyhydrazinyl)-3-sulfanylidenepropanoate

C5H10N2O3S — CID 91177750

IUPACethyl (2R)-2-(2-hydroxyhydrazinyl)-3-sulfanylidenepropanoate
SMILESCCOC(=O)[C@H](C=S)NNO
InChIInChI=1S/C5H10N2O3S/c1-2-10-5(8)4(3-11)6-7-9/h3-4,6-7,9H,2H2,1H3/t4-/m0/s1
InChIKeyWWBUAAYFSYTUND-BYPYZUCNSA-N
MW178.21 g/mol
LogP-0.60
Rot. Bonds5

About ethyl (2R)-2-(2-hydroxyhydrazinyl)-3-sulfanylidenepropanoate

ethyl (2R)-2-(2-hydroxyhydrazinyl)-3-sulfanylidenepropanoate (PubChem CID 91177750) has the molecular formula C5H10N2O3S and a molecular weight of 178.21 g/mol. Its IUPAC name is ethyl (2R)-2-(2-hydroxyhydrazinyl)-3-sulfanylidenepropanoate.

Molecular Properties

Compound Nameethyl (2R)-2-(2-hydroxyhydrazinyl)-3-sulfanylidenepropanoate
PubChem CID91177750
Molecular FormulaC5H10N2O3S
Molecular Weight178.21 g/mol
Exact Mass178.04
IUPAC Nameethyl (2R)-2-(2-hydroxyhydrazinyl)-3-sulfanylidenepropanoate
SMILESCCOC(=O)[C@H](C=S)NNO
InChIInChI=1S/C5H10N2O3S/c1-2-10-5(8)4(3-11)6-7-9/h3-4,6-7,9H,2H2,1H3/t4-/m0/s1
InChIKeyWWBUAAYFSYTUND-BYPYZUCNSA-N
XLogP-0.60
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-(2-hydroxyhydrazinyl)-3-sulfanylidenepropanoate?
The IUPAC name of ethyl (2R)-2-(2-hydroxyhydrazinyl)-3-sulfanylidenepropanoate (CID 91177750) is ethyl (2R)-2-(2-hydroxyhydrazinyl)-3-sulfanylidenepropanoate.
What is the SMILES notation for ethyl (2R)-2-(2-hydroxyhydrazinyl)-3-sulfanylidenepropanoate?
The canonical SMILES for ethyl (2R)-2-(2-hydroxyhydrazinyl)-3-sulfanylidenepropanoate is CCOC(=O)[C@H](C=S)NNO.
What is the InChIKey of ethyl (2R)-2-(2-hydroxyhydrazinyl)-3-sulfanylidenepropanoate?
The InChIKey is WWBUAAYFSYTUND-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H10N2O3S/c1-2-10-5(8)4(3-11)6-7-9/h3-4,6-7,9H,2H2,1H3/t4-/m0/s1.
What are the key properties of ethyl (2R)-2-(2-hydroxyhydrazinyl)-3-sulfanylidenepropanoate?
ethyl (2R)-2-(2-hydroxyhydrazinyl)-3-sulfanylidenepropanoate has a molecular weight of 178.21 g/mol, XLogP of -0.60, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-(2-hydroxyhydrazinyl)-3-sulfanylidenepropanoate is sourced from PubChem (CID 91177750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).