3-(2-fluorophenyl)sulfanylpropanehydrazide

C9H11FN2OS — CID 43236853

IUPAC3-(2-fluorophenyl)sulfanylpropanehydrazide
SMILESNNC(=O)CCSc1ccccc1F
InChIInChI=1S/C9H11FN2OS/c10-7-3-1-2-4-8(7)14-6-5-9(13)12-11/h1-4H,5-6,11H2,(H,12,13)
InChIKeyGCJNWFUIQXDZQI-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.30
Rot. Bonds4

About 3-(2-fluorophenyl)sulfanylpropanehydrazide

3-(2-fluorophenyl)sulfanylpropanehydrazide (PubChem CID 43236853) has the molecular formula C9H11FN2OS and a molecular weight of 214.27 g/mol. Its IUPAC name is 3-(2-fluorophenyl)sulfanylpropanehydrazide.

Molecular Properties

Compound Name3-(2-fluorophenyl)sulfanylpropanehydrazide
PubChem CID43236853
Molecular FormulaC9H11FN2OS
Molecular Weight214.27 g/mol
Exact Mass214.06
IUPAC Name3-(2-fluorophenyl)sulfanylpropanehydrazide
SMILESNNC(=O)CCSc1ccccc1F
InChIInChI=1S/C9H11FN2OS/c10-7-3-1-2-4-8(7)14-6-5-9(13)12-11/h1-4H,5-6,11H2,(H,12,13)
InChIKeyGCJNWFUIQXDZQI-UHFFFAOYSA-N
XLogP1.30
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 ≤ 51.30
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

N-(2-amino-2-oxoethoxy)-3-(2-fluorophenyl)sulfanylpropanamide
CID 112550573
2-[3-(2-fluorophenyl)sulfanylpropanoylamino]oxyacetic acid
CID 63930983
2-[[2-[3-(2-fluorophenyl)sulfanylpropanoylamino]acetyl]amino]acetic acid
CID 43465386
3-(2-fluorophenyl)sulfanyl-N-(3-hydroxypropyl)propanamide
CID 43417674
3-(2-fluorophenyl)sulfanyl-N-[(2R)-2-hydroxypropyl]propanamide
CID 83032259
3-(2-fluorophenyl)sulfanyl-N-[2-(methylamino)ethyl]propanamide
CID 119502265
4-[3-(2-fluorophenyl)sulfanylpropanoylamino]benzamide
CID 26465908
methyl 2-[3-(2-fluorophenyl)sulfanylpropanoylamino]-3-methylbutanoate
CID 43408320
2-[4-[(2-fluorophenyl)sulfanylmethyl]phenyl]acetohydrazide
CID 105352338
(2S)-2-[3-(2-fluorophenyl)sulfanylpropanoylamino]-3-hydroxypropanoic acid
CID 61152189
2-[3-(2-fluorophenyl)sulfanylpropanoylamino]butanoic acid
CID 43469420
3-(2-fluorophenyl)sulfanyl-N-[(2S)-1-hydroxybutan-2-yl]propanamide
CID 93041484

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)sulfanylpropanehydrazide?
The IUPAC name of 3-(2-fluorophenyl)sulfanylpropanehydrazide (CID 43236853) is 3-(2-fluorophenyl)sulfanylpropanehydrazide.
What is the SMILES notation for 3-(2-fluorophenyl)sulfanylpropanehydrazide?
The canonical SMILES for 3-(2-fluorophenyl)sulfanylpropanehydrazide is NNC(=O)CCSc1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)sulfanylpropanehydrazide?
The InChIKey is GCJNWFUIQXDZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2OS/c10-7-3-1-2-4-8(7)14-6-5-9(13)12-11/h1-4H,5-6,11H2,(H,12,13).
What are the key properties of 3-(2-fluorophenyl)sulfanylpropanehydrazide?
3-(2-fluorophenyl)sulfanylpropanehydrazide has a molecular weight of 214.27 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)sulfanylpropanehydrazide is sourced from PubChem (CID 43236853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).