2-[(2-chloro-4-fluorophenyl)methylsulfanyl]acetohydrazide

C9H10ClFN2OS — CID 17373043

IUPAC2-[(2-chloro-4-fluorophenyl)methylsulfanyl]acetohydrazide
SMILESNNC(=O)CSCc1ccc(F)cc1Cl
InChIInChI=1S/C9H10ClFN2OS/c10-8-3-7(11)2-1-6(8)4-15-5-9(14)13-12/h1-3H,4-5,12H2,(H,13,14)
InChIKeyMTARXILBXADVBV-UHFFFAOYSA-N
MW248.71 g/mol
LogP1.70
Rot. Bonds4

About 2-[(2-chloro-4-fluorophenyl)methylsulfanyl]acetohydrazide

2-[(2-chloro-4-fluorophenyl)methylsulfanyl]acetohydrazide (PubChem CID 17373043) has the molecular formula C9H10ClFN2OS and a molecular weight of 248.71 g/mol. Its IUPAC name is 2-[(2-chloro-4-fluorophenyl)methylsulfanyl]acetohydrazide.

Molecular Properties

Compound Name2-[(2-chloro-4-fluorophenyl)methylsulfanyl]acetohydrazide
PubChem CID17373043
Molecular FormulaC9H10ClFN2OS
Molecular Weight248.71 g/mol
Exact Mass248.02
IUPAC Name2-[(2-chloro-4-fluorophenyl)methylsulfanyl]acetohydrazide
SMILESNNC(=O)CSCc1ccc(F)cc1Cl
InChIInChI=1S/C9H10ClFN2OS/c10-8-3-7(11)2-1-6(8)4-15-5-9(14)13-12/h1-3H,4-5,12H2,(H,13,14)
InChIKeyMTARXILBXADVBV-UHFFFAOYSA-N
XLogP1.70
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 51.70
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-[(2-chloro-4-fluorophenyl)methylsulfanyl]acetohydrazide?
The IUPAC name of 2-[(2-chloro-4-fluorophenyl)methylsulfanyl]acetohydrazide (CID 17373043) is 2-[(2-chloro-4-fluorophenyl)methylsulfanyl]acetohydrazide.
What is the SMILES notation for 2-[(2-chloro-4-fluorophenyl)methylsulfanyl]acetohydrazide?
The canonical SMILES for 2-[(2-chloro-4-fluorophenyl)methylsulfanyl]acetohydrazide is NNC(=O)CSCc1ccc(F)cc1Cl.
What is the InChIKey of 2-[(2-chloro-4-fluorophenyl)methylsulfanyl]acetohydrazide?
The InChIKey is MTARXILBXADVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClFN2OS/c10-8-3-7(11)2-1-6(8)4-15-5-9(14)13-12/h1-3H,4-5,12H2,(H,13,14).
What are the key properties of 2-[(2-chloro-4-fluorophenyl)methylsulfanyl]acetohydrazide?
2-[(2-chloro-4-fluorophenyl)methylsulfanyl]acetohydrazide has a molecular weight of 248.71 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-fluorophenyl)methylsulfanyl]acetohydrazide is sourced from PubChem (CID 17373043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).