4-(2-ethylsulfanylethoxy)benzohydrazide

C11H16N2O2S — CID 63582672

IUPAC4-(2-ethylsulfanylethoxy)benzohydrazide
SMILESCCSCCOc1ccc(C(=O)NN)cc1
InChIInChI=1S/C11H16N2O2S/c1-2-16-8-7-15-10-5-3-9(4-6-10)11(14)13-12/h3-6H,2,7-8,12H2,1H3,(H,13,14)
InChIKeyJIWCHNWYIKZKIK-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.42
Rot. Bonds6

About 4-(2-ethylsulfanylethoxy)benzohydrazide

4-(2-ethylsulfanylethoxy)benzohydrazide (PubChem CID 63582672) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 4-(2-ethylsulfanylethoxy)benzohydrazide.

Molecular Properties

Compound Name4-(2-ethylsulfanylethoxy)benzohydrazide
PubChem CID63582672
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name4-(2-ethylsulfanylethoxy)benzohydrazide
SMILESCCSCCOc1ccc(C(=O)NN)cc1
InChIInChI=1S/C11H16N2O2S/c1-2-16-8-7-15-10-5-3-9(4-6-10)11(14)13-12/h3-6H,2,7-8,12H2,1H3,(H,13,14)
InChIKeyJIWCHNWYIKZKIK-UHFFFAOYSA-N
XLogP1.42
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[4-(2-ethylsulfanylethoxy)phenyl]ethanone
CID 75372281
4-(2-butan-2-ylsulfanylethoxy)benzohydrazide
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4-pentoxybenzohydrazide
CID 2727702
4-[2-(cyclopentylmethylsulfanyl)ethoxy]benzohydrazide
CID 63589751
4-(2-butoxyethoxy)benzohydrazide
CID 55214383
4-[2-(4-aminobutan-2-ylsulfanyl)ethoxy]benzohydrazide
CID 66225349
4-[2-(4-iodophenoxy)ethoxy]benzohydrazide
CID 63576077
4-[2-[ethyl(propyl)amino]ethoxy]benzohydrazide
CID 55213633
4-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethoxy]benzohydrazide
CID 106926311
4-[2-(2-propan-2-yloxyethoxy)ethoxy]benzohydrazide
CID 63576109
4-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethoxy]benzohydrazide
CID 63577103
4-(2-pent-4-enoxyethoxy)benzohydrazide
CID 79114465

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylsulfanylethoxy)benzohydrazide?
The IUPAC name of 4-(2-ethylsulfanylethoxy)benzohydrazide (CID 63582672) is 4-(2-ethylsulfanylethoxy)benzohydrazide.
What is the SMILES notation for 4-(2-ethylsulfanylethoxy)benzohydrazide?
The canonical SMILES for 4-(2-ethylsulfanylethoxy)benzohydrazide is CCSCCOc1ccc(C(=O)NN)cc1.
What is the InChIKey of 4-(2-ethylsulfanylethoxy)benzohydrazide?
The InChIKey is JIWCHNWYIKZKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-2-16-8-7-15-10-5-3-9(4-6-10)11(14)13-12/h3-6H,2,7-8,12H2,1H3,(H,13,14).
What are the key properties of 4-(2-ethylsulfanylethoxy)benzohydrazide?
4-(2-ethylsulfanylethoxy)benzohydrazide has a molecular weight of 240.33 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylsulfanylethoxy)benzohydrazide is sourced from PubChem (CID 63582672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).