2-[2-(2-methylpropylsulfanyl)ethoxy]benzohydrazide

C13H20N2O2S — CID 55213700

IUPAC2-[2-(2-methylpropylsulfanyl)ethoxy]benzohydrazide
SMILESCC(C)CSCCOc1ccccc1C(=O)NN
InChIInChI=1S/C13H20N2O2S/c1-10(2)9-18-8-7-17-12-6-4-3-5-11(12)13(16)15-14/h3-6,10H,7-9,14H2,1-2H3,(H,15,16)
InChIKeyYPNATRGKHZGWOI-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.06
Rot. Bonds7

About 2-[2-(2-methylpropylsulfanyl)ethoxy]benzohydrazide

2-[2-(2-methylpropylsulfanyl)ethoxy]benzohydrazide (PubChem CID 55213700) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-[2-(2-methylpropylsulfanyl)ethoxy]benzohydrazide.

Molecular Properties

Compound Name2-[2-(2-methylpropylsulfanyl)ethoxy]benzohydrazide
PubChem CID55213700
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name2-[2-(2-methylpropylsulfanyl)ethoxy]benzohydrazide
SMILESCC(C)CSCCOc1ccccc1C(=O)NN
InChIInChI=1S/C13H20N2O2S/c1-10(2)9-18-8-7-17-12-6-4-3-5-11(12)13(16)15-14/h3-6,10H,7-9,14H2,1-2H3,(H,15,16)
InChIKeyYPNATRGKHZGWOI-UHFFFAOYSA-N
XLogP2.06
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.06
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

2-[2-(4-methylpentan-2-yloxy)ethoxy]benzohydrazide
CID 63574572
2-[2-(cyclopentylmethylsulfanyl)ethoxy]benzohydrazide
CID 63589929
1-[2-[2-(3-amino-2-methylpropyl)sulfanylethoxy]phenyl]ethanone
CID 66226580
2-[2-[methyl(1-methylsulfanylpropan-2-yl)amino]ethoxy]benzohydrazide
CID 115988023
2-pentoxybenzohydrazide
CID 54793215
2-(2-ethylsulfanylpropoxy)benzohydrazide
CID 162719393
2-[2-[butan-2-yl(ethyl)amino]ethoxy]benzohydrazide
CID 63572715
2-[2-(2-iodophenoxy)ethoxy]benzohydrazide
CID 63570332
2-methoxybenzohydrazide
CID 24051
2-(2-prop-2-enoxyethoxy)benzohydrazide
CID 63576125
2-[2-[ethyl(2-methylbutyl)amino]ethoxy]benzohydrazide
CID 79482895
2-[2-(4-methylcyclohexyl)oxyethoxy]benzohydrazide
CID 63575926

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylpropylsulfanyl)ethoxy]benzohydrazide?
The IUPAC name of 2-[2-(2-methylpropylsulfanyl)ethoxy]benzohydrazide (CID 55213700) is 2-[2-(2-methylpropylsulfanyl)ethoxy]benzohydrazide.
What is the SMILES notation for 2-[2-(2-methylpropylsulfanyl)ethoxy]benzohydrazide?
The canonical SMILES for 2-[2-(2-methylpropylsulfanyl)ethoxy]benzohydrazide is CC(C)CSCCOc1ccccc1C(=O)NN.
What is the InChIKey of 2-[2-(2-methylpropylsulfanyl)ethoxy]benzohydrazide?
The InChIKey is YPNATRGKHZGWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-10(2)9-18-8-7-17-12-6-4-3-5-11(12)13(16)15-14/h3-6,10H,7-9,14H2,1-2H3,(H,15,16).
What are the key properties of 2-[2-(2-methylpropylsulfanyl)ethoxy]benzohydrazide?
2-[2-(2-methylpropylsulfanyl)ethoxy]benzohydrazide has a molecular weight of 268.38 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylpropylsulfanyl)ethoxy]benzohydrazide is sourced from PubChem (CID 55213700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).