2-(4-chlorophenyl)sulfanylacetohydrazide

C8H9ClN2OS — CID 734893

IUPAC2-(4-chlorophenyl)sulfanylacetohydrazide
SMILESNNC(=O)CSc1ccc(Cl)cc1
InChIInChI=1S/C8H9ClN2OS/c9-6-1-3-7(4-2-6)13-5-8(12)11-10/h1-4H,5,10H2,(H,11,12)
InChIKeySXJWSRUPDZKESM-UHFFFAOYSA-N
MW216.69 g/mol
LogP1.42
Rot. Bonds3

About 2-(4-chlorophenyl)sulfanylacetohydrazide

2-(4-chlorophenyl)sulfanylacetohydrazide (PubChem CID 734893) has the molecular formula C8H9ClN2OS and a molecular weight of 216.69 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanylacetohydrazide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanylacetohydrazide
PubChem CID734893
Molecular FormulaC8H9ClN2OS
Molecular Weight216.69 g/mol
Exact Mass216.01
IUPAC Name2-(4-chlorophenyl)sulfanylacetohydrazide
SMILESNNC(=O)CSc1ccc(Cl)cc1
InChIInChI=1S/C8H9ClN2OS/c9-6-1-3-7(4-2-6)13-5-8(12)11-10/h1-4H,5,10H2,(H,11,12)
InChIKeySXJWSRUPDZKESM-UHFFFAOYSA-N
XLogP1.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.69
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(4-chlorophenyl)sulfanylacetohydrazide?
The IUPAC name of 2-(4-chlorophenyl)sulfanylacetohydrazide (CID 734893) is 2-(4-chlorophenyl)sulfanylacetohydrazide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanylacetohydrazide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanylacetohydrazide is NNC(=O)CSc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanylacetohydrazide?
The InChIKey is SXJWSRUPDZKESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2OS/c9-6-1-3-7(4-2-6)13-5-8(12)11-10/h1-4H,5,10H2,(H,11,12).
What are the key properties of 2-(4-chlorophenyl)sulfanylacetohydrazide?
2-(4-chlorophenyl)sulfanylacetohydrazide has a molecular weight of 216.69 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanylacetohydrazide is sourced from PubChem (CID 734893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).