2-(2-ethylsulfanylpropoxy)benzohydrazide

C12H18N2O2S — CID 162719393

IUPAC2-(2-ethylsulfanylpropoxy)benzohydrazide
SMILESCCSC(C)COc1ccccc1C(=O)NN
InChIInChI=1S/C12H18N2O2S/c1-3-17-9(2)8-16-11-7-5-4-6-10(11)12(15)14-13/h4-7,9H,3,8,13H2,1-2H3,(H,14,15)
InChIKeyJFNGIJKMPYEVJB-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.81
Rot. Bonds6

About 2-(2-ethylsulfanylpropoxy)benzohydrazide

2-(2-ethylsulfanylpropoxy)benzohydrazide (PubChem CID 162719393) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 2-(2-ethylsulfanylpropoxy)benzohydrazide.

Molecular Properties

Compound Name2-(2-ethylsulfanylpropoxy)benzohydrazide
PubChem CID162719393
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name2-(2-ethylsulfanylpropoxy)benzohydrazide
SMILESCCSC(C)COc1ccccc1C(=O)NN
InChIInChI=1S/C12H18N2O2S/c1-3-17-9(2)8-16-11-7-5-4-6-10(11)12(15)14-13/h4-7,9H,3,8,13H2,1-2H3,(H,14,15)
InChIKeyJFNGIJKMPYEVJB-UHFFFAOYSA-N
XLogP1.81
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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CID 54793215
2-[2-(2-methylpropylsulfanyl)ethoxy]benzohydrazide
CID 55213700
2-[2-[methyl(1-methylsulfanylpropan-2-yl)amino]ethoxy]benzohydrazide
CID 115988023
2-methoxybenzohydrazide
CID 24051
2-[2-(4-methylpentan-2-yloxy)ethoxy]benzohydrazide
CID 63574572
2-[2-[butan-2-yl(ethyl)amino]ethoxy]benzohydrazide
CID 63572715
2-[[2-(2-methylpropoxy)benzoyl]amino]benzamide
CID 4945319
2-(2-methylpropoxy)-N-(1-phenylpropyl)benzamide
CID 43911530
2-[2-[ethyl(2-methylbutyl)amino]ethoxy]benzohydrazide
CID 79482895
N-(butylcarbamothioyl)-2-(2-methylpropoxy)benzamide
CID 17143030
2-[2-[butyl(ethyl)amino]ethoxy]benzohydrazide
CID 63569772
ethyl 2-[[2-(2-methylpropoxy)benzoyl]amino]-3-phenylpropanoate
CID 43877625

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylsulfanylpropoxy)benzohydrazide?
The IUPAC name of 2-(2-ethylsulfanylpropoxy)benzohydrazide (CID 162719393) is 2-(2-ethylsulfanylpropoxy)benzohydrazide.
What is the SMILES notation for 2-(2-ethylsulfanylpropoxy)benzohydrazide?
The canonical SMILES for 2-(2-ethylsulfanylpropoxy)benzohydrazide is CCSC(C)COc1ccccc1C(=O)NN.
What is the InChIKey of 2-(2-ethylsulfanylpropoxy)benzohydrazide?
The InChIKey is JFNGIJKMPYEVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-3-17-9(2)8-16-11-7-5-4-6-10(11)12(15)14-13/h4-7,9H,3,8,13H2,1-2H3,(H,14,15).
What are the key properties of 2-(2-ethylsulfanylpropoxy)benzohydrazide?
2-(2-ethylsulfanylpropoxy)benzohydrazide has a molecular weight of 254.35 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylsulfanylpropoxy)benzohydrazide is sourced from PubChem (CID 162719393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).