2-(4-hydroxyphenyl)sulfanyl-3-methoxypropanehydrazide

C10H14N2O3S — CID 103229970

IUPAC2-(4-hydroxyphenyl)sulfanyl-3-methoxypropanehydrazide
SMILESCOCC(Sc1ccc(O)cc1)C(=O)NN
InChIInChI=1S/C10H14N2O3S/c1-15-6-9(10(14)12-11)16-8-4-2-7(13)3-5-8/h2-5,9,13H,6,11H2,1H3,(H,12,14)
InChIKeyLQSHQOWKRMBGDN-UHFFFAOYSA-N
MW242.30 g/mol
LogP0.49
Rot. Bonds5

About 2-(4-hydroxyphenyl)sulfanyl-3-methoxypropanehydrazide

2-(4-hydroxyphenyl)sulfanyl-3-methoxypropanehydrazide (PubChem CID 103229970) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)sulfanyl-3-methoxypropanehydrazide.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)sulfanyl-3-methoxypropanehydrazide
PubChem CID103229970
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name2-(4-hydroxyphenyl)sulfanyl-3-methoxypropanehydrazide
SMILESCOCC(Sc1ccc(O)cc1)C(=O)NN
InChIInChI=1S/C10H14N2O3S/c1-15-6-9(10(14)12-11)16-8-4-2-7(13)3-5-8/h2-5,9,13H,6,11H2,1H3,(H,12,14)
InChIKeyLQSHQOWKRMBGDN-UHFFFAOYSA-N
XLogP0.49
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)sulfanyl-3-methoxypropanehydrazide?
The IUPAC name of 2-(4-hydroxyphenyl)sulfanyl-3-methoxypropanehydrazide (CID 103229970) is 2-(4-hydroxyphenyl)sulfanyl-3-methoxypropanehydrazide.
What is the SMILES notation for 2-(4-hydroxyphenyl)sulfanyl-3-methoxypropanehydrazide?
The canonical SMILES for 2-(4-hydroxyphenyl)sulfanyl-3-methoxypropanehydrazide is COCC(Sc1ccc(O)cc1)C(=O)NN.
What is the InChIKey of 2-(4-hydroxyphenyl)sulfanyl-3-methoxypropanehydrazide?
The InChIKey is LQSHQOWKRMBGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-15-6-9(10(14)12-11)16-8-4-2-7(13)3-5-8/h2-5,9,13H,6,11H2,1H3,(H,12,14).
What are the key properties of 2-(4-hydroxyphenyl)sulfanyl-3-methoxypropanehydrazide?
2-(4-hydroxyphenyl)sulfanyl-3-methoxypropanehydrazide has a molecular weight of 242.30 g/mol, XLogP of 0.49, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)sulfanyl-3-methoxypropanehydrazide is sourced from PubChem (CID 103229970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).