2-[(2-fluorophenyl)methylsulfanyl]acetohydrazide

C9H11FN2OS — CID 17372883

IUPAC2-[(2-fluorophenyl)methylsulfanyl]acetohydrazide
SMILESNNC(=O)CSCc1ccccc1F
InChIInChI=1S/C9H11FN2OS/c10-8-4-2-1-3-7(8)5-14-6-9(13)12-11/h1-4H,5-6,11H2,(H,12,13)
InChIKeyRZBJLFXBZHPWMO-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.05
Rot. Bonds4

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

2-[(2-fluorophenyl)methylsulfanyl]acetohydrazide (PubChem CID 17372883) has the molecular formula C9H11FN2OS and a molecular weight of 214.27 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methylsulfanyl]acetohydrazide.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methylsulfanyl]acetohydrazide
PubChem CID17372883
Molecular FormulaC9H11FN2OS
Molecular Weight214.27 g/mol
Exact Mass214.06
IUPAC Name2-[(2-fluorophenyl)methylsulfanyl]acetohydrazide
SMILESNNC(=O)CSCc1ccccc1F
InChIInChI=1S/C9H11FN2OS/c10-8-4-2-1-3-7(8)5-14-6-9(13)12-11/h1-4H,5-6,11H2,(H,12,13)
InChIKeyRZBJLFXBZHPWMO-UHFFFAOYSA-N
XLogP1.05
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.05
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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Related Compounds

Acetamide, 2-(benzylthio)-
CID 95209
2-[(2-Fluorophenyl)sulfanyl]acetohydrazide
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(2E)-3-(4-fluorophenyl)acrylohydrazide
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2-[(4-Methylphenyl)sulfanyl]acetohydrazide
CID 2463153
2-[[3-(Trifluoromethyl)phenyl]methylsulfinyl]acetohydrazide
CID 2803876
(E)-3-(3-fluorophenyl)prop-2-enehydrazide
CID 43236552
(2E,4E)-5-(3-fluorophenyl)penta-2,4-dienehydrazide
CID 168289568
(2E,4E)-5-(4-fluorophenyl)penta-2,4-dienehydrazide
CID 168292743
2-[(4-Chlorobenzyl)thio]acetohydrazide
CID 679484
3-[(4-Methylphenyl)thio]propanohydrazide
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2-Benzylsulfonylacetohydrazide
CID 11817035

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methylsulfanyl]acetohydrazide?
The IUPAC name of 2-[(2-fluorophenyl)methylsulfanyl]acetohydrazide (CID 17372883) is 2-[(2-fluorophenyl)methylsulfanyl]acetohydrazide.
What is the SMILES notation for 2-[(2-fluorophenyl)methylsulfanyl]acetohydrazide?
The canonical SMILES for 2-[(2-fluorophenyl)methylsulfanyl]acetohydrazide is NNC(=O)CSCc1ccccc1F.
What is the InChIKey of 2-[(2-fluorophenyl)methylsulfanyl]acetohydrazide?
The InChIKey is RZBJLFXBZHPWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2OS/c10-8-4-2-1-3-7(8)5-14-6-9(13)12-11/h1-4H,5-6,11H2,(H,12,13).
What are the key properties of 2-[(2-fluorophenyl)methylsulfanyl]acetohydrazide?
2-[(2-fluorophenyl)methylsulfanyl]acetohydrazide has a molecular weight of 214.27 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methylsulfanyl]acetohydrazide is sourced from PubChem (CID 17372883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).