2-(2-aminophenyl)sulfanylacetohydrazide

C8H11N3OS — CID 63582563

IUPAC2-(2-aminophenyl)sulfanylacetohydrazide
SMILESNNC(=O)CSc1ccccc1N
InChIInChI=1S/C8H11N3OS/c9-6-3-1-2-4-7(6)13-5-8(12)11-10/h1-4H,5,9-10H2,(H,11,12)
InChIKeyHZYBOVOABVSMII-UHFFFAOYSA-N
MW197.26 g/mol
LogP0.35
Rot. Bonds3

About 2-(2-aminophenyl)sulfanylacetohydrazide

2-(2-aminophenyl)sulfanylacetohydrazide (PubChem CID 63582563) has the molecular formula C8H11N3OS and a molecular weight of 197.26 g/mol. Its IUPAC name is 2-(2-aminophenyl)sulfanylacetohydrazide.

Molecular Properties

Compound Name2-(2-aminophenyl)sulfanylacetohydrazide
PubChem CID63582563
Molecular FormulaC8H11N3OS
Molecular Weight197.26 g/mol
Exact Mass197.06
IUPAC Name2-(2-aminophenyl)sulfanylacetohydrazide
SMILESNNC(=O)CSc1ccccc1N
InChIInChI=1S/C8H11N3OS/c9-6-3-1-2-4-7(6)13-5-8(12)11-10/h1-4H,5,9-10H2,(H,11,12)
InChIKeyHZYBOVOABVSMII-UHFFFAOYSA-N
XLogP0.35
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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-aminophenyl)sulfanylacetohydrazide?
The IUPAC name of 2-(2-aminophenyl)sulfanylacetohydrazide (CID 63582563) is 2-(2-aminophenyl)sulfanylacetohydrazide.
What is the SMILES notation for 2-(2-aminophenyl)sulfanylacetohydrazide?
The canonical SMILES for 2-(2-aminophenyl)sulfanylacetohydrazide is NNC(=O)CSc1ccccc1N.
What is the InChIKey of 2-(2-aminophenyl)sulfanylacetohydrazide?
The InChIKey is HZYBOVOABVSMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3OS/c9-6-3-1-2-4-7(6)13-5-8(12)11-10/h1-4H,5,9-10H2,(H,11,12).
What are the key properties of 2-(2-aminophenyl)sulfanylacetohydrazide?
2-(2-aminophenyl)sulfanylacetohydrazide has a molecular weight of 197.26 g/mol, XLogP of 0.35, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)sulfanylacetohydrazide is sourced from PubChem (CID 63582563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).