2-[(4-chlorophenyl)methylsulfanyl]acetohydrazide

C9H11ClN2OS — CID 679484

IUPAC2-[(4-chlorophenyl)methylsulfanyl]acetohydrazide
SMILESNNC(=O)CSCc1ccc(Cl)cc1
InChIInChI=1S/C9H11ClN2OS/c10-8-3-1-7(2-4-8)5-14-6-9(13)12-11/h1-4H,5-6,11H2,(H,12,13)
InChIKeySNHAFZQQCFDVOW-UHFFFAOYSA-N
MW230.72 g/mol
LogP1.56
Rot. Bonds4

About 2-[(4-chlorophenyl)methylsulfanyl]acetohydrazide

2-[(4-chlorophenyl)methylsulfanyl]acetohydrazide (PubChem CID 679484) has the molecular formula C9H11ClN2OS and a molecular weight of 230.72 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylsulfanyl]acetohydrazide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylsulfanyl]acetohydrazide
PubChem CID679484
Molecular FormulaC9H11ClN2OS
Molecular Weight230.72 g/mol
Exact Mass230.03
IUPAC Name2-[(4-chlorophenyl)methylsulfanyl]acetohydrazide
SMILESNNC(=O)CSCc1ccc(Cl)cc1
InChIInChI=1S/C9H11ClN2OS/c10-8-3-1-7(2-4-8)5-14-6-9(13)12-11/h1-4H,5-6,11H2,(H,12,13)
InChIKeySNHAFZQQCFDVOW-UHFFFAOYSA-N
XLogP1.56
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.72
LogP ≤ 51.56
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)methylsulfanyl]acetohydrazide?
The IUPAC name of 2-[(4-chlorophenyl)methylsulfanyl]acetohydrazide (CID 679484) is 2-[(4-chlorophenyl)methylsulfanyl]acetohydrazide.
What is the SMILES notation for 2-[(4-chlorophenyl)methylsulfanyl]acetohydrazide?
The canonical SMILES for 2-[(4-chlorophenyl)methylsulfanyl]acetohydrazide is NNC(=O)CSCc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methylsulfanyl]acetohydrazide?
The InChIKey is SNHAFZQQCFDVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2OS/c10-8-3-1-7(2-4-8)5-14-6-9(13)12-11/h1-4H,5-6,11H2,(H,12,13).
What are the key properties of 2-[(4-chlorophenyl)methylsulfanyl]acetohydrazide?
2-[(4-chlorophenyl)methylsulfanyl]acetohydrazide has a molecular weight of 230.72 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylsulfanyl]acetohydrazide is sourced from PubChem (CID 679484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).