2-[2-(hydroxyamino)phenyl]sulfanylacetohydrazide

C8H11N3O2S — CID 138857451

IUPAC2-[2-(hydroxyamino)phenyl]sulfanylacetohydrazide
SMILESNNC(=O)CSc1ccccc1NO
InChIInChI=1S/C8H11N3O2S/c9-10-8(12)5-14-7-4-2-1-3-6(7)11-13/h1-4,11,13H,5,9H2,(H,10,12)
InChIKeyHNPSDWUNIUTQLM-UHFFFAOYSA-N
MW213.26 g/mol
LogP0.57
Rot. Bonds4

About 2-[2-(hydroxyamino)phenyl]sulfanylacetohydrazide

2-[2-(hydroxyamino)phenyl]sulfanylacetohydrazide (PubChem CID 138857451) has the molecular formula C8H11N3O2S and a molecular weight of 213.26 g/mol. Its IUPAC name is 2-[2-(hydroxyamino)phenyl]sulfanylacetohydrazide.

Molecular Properties

Compound Name2-[2-(hydroxyamino)phenyl]sulfanylacetohydrazide
PubChem CID138857451
Molecular FormulaC8H11N3O2S
Molecular Weight213.26 g/mol
Exact Mass213.06
IUPAC Name2-[2-(hydroxyamino)phenyl]sulfanylacetohydrazide
SMILESNNC(=O)CSc1ccccc1NO
InChIInChI=1S/C8H11N3O2S/c9-10-8(12)5-14-7-4-2-1-3-6(7)11-13/h1-4,11,13H,5,9H2,(H,10,12)
InChIKeyHNPSDWUNIUTQLM-UHFFFAOYSA-N
XLogP0.57
TPSA87.38 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 50.57
H-Bond Donors ≤ 54
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 2-[2-(hydroxyamino)phenyl]sulfanylacetohydrazide?
The IUPAC name of 2-[2-(hydroxyamino)phenyl]sulfanylacetohydrazide (CID 138857451) is 2-[2-(hydroxyamino)phenyl]sulfanylacetohydrazide.
What is the SMILES notation for 2-[2-(hydroxyamino)phenyl]sulfanylacetohydrazide?
The canonical SMILES for 2-[2-(hydroxyamino)phenyl]sulfanylacetohydrazide is NNC(=O)CSc1ccccc1NO.
What is the InChIKey of 2-[2-(hydroxyamino)phenyl]sulfanylacetohydrazide?
The InChIKey is HNPSDWUNIUTQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2S/c9-10-8(12)5-14-7-4-2-1-3-6(7)11-13/h1-4,11,13H,5,9H2,(H,10,12).
What are the key properties of 2-[2-(hydroxyamino)phenyl]sulfanylacetohydrazide?
2-[2-(hydroxyamino)phenyl]sulfanylacetohydrazide has a molecular weight of 213.26 g/mol, XLogP of 0.57, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxyamino)phenyl]sulfanylacetohydrazide is sourced from PubChem (CID 138857451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).