2-[4-[(3-hydroxyphenyl)sulfanylmethyl]phenyl]acetohydrazide

C15H16N2O2S — CID 105352545

IUPAC2-[4-[(3-hydroxyphenyl)sulfanylmethyl]phenyl]acetohydrazide
SMILESNNC(=O)Cc1ccc(CSc2cccc(O)c2)cc1
InChIInChI=1S/C15H16N2O2S/c16-17-15(19)8-11-4-6-12(7-5-11)10-20-14-3-1-2-13(18)9-14/h1-7,9,18H,8,10,16H2,(H,17,19)
InChIKeyCAFKHHMAOZLCHB-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.22
Rot. Bonds5

About 2-[4-[(3-hydroxyphenyl)sulfanylmethyl]phenyl]acetohydrazide

2-[4-[(3-hydroxyphenyl)sulfanylmethyl]phenyl]acetohydrazide (PubChem CID 105352545) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 2-[4-[(3-hydroxyphenyl)sulfanylmethyl]phenyl]acetohydrazide.

Molecular Properties

Compound Name2-[4-[(3-hydroxyphenyl)sulfanylmethyl]phenyl]acetohydrazide
PubChem CID105352545
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name2-[4-[(3-hydroxyphenyl)sulfanylmethyl]phenyl]acetohydrazide
SMILESNNC(=O)Cc1ccc(CSc2cccc(O)c2)cc1
InChIInChI=1S/C15H16N2O2S/c16-17-15(19)8-11-4-6-12(7-5-11)10-20-14-3-1-2-13(18)9-14/h1-7,9,18H,8,10,16H2,(H,17,19)
InChIKeyCAFKHHMAOZLCHB-UHFFFAOYSA-N
XLogP2.22
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.22
H-Bond Donors ≤ 53
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

2-[4-[(3-hydroxyphenyl)sulfanylmethyl]phenyl]propanehydrazide
CID 105352546
2-[4-[(3-hydroxyphenyl)sulfanylmethyl]phenyl]propanoic acid
CID 105345300
2-[4-[(6-amino-3-pyridinyl)sulfanylmethyl]phenyl]acetohydrazide
CID 105352452
5-[(3-hydroxyphenyl)sulfanylmethyl]furan-3-carbohydrazide
CID 104591174
2-[4-[(2-fluorophenyl)sulfanylmethyl]phenyl]acetohydrazide
CID 105352338
2-[4-[(2,4-dimethylphenyl)sulfanylmethyl]phenyl]acetohydrazide
CID 105352343
2-[4-[(2-amino-5-bromophenyl)sulfanylmethyl]phenyl]acetohydrazide
CID 105352521
3-[(6-hydrazinyl-2-pyridinyl)methylsulfanyl]phenol
CID 104591146
benzene-1,3-diol;2-(2-hydrazinyl-2-oxoethoxy)acetohydrazide
CID 68738224
N-(tert-butylcarbamoyl)-2-(3-hydroxyphenyl)sulfanylacetamide
CID 104590387
2-[4-(pyrazin-2-ylsulfanylmethyl)phenyl]acetohydrazide
CID 105352319
2-[3-(trifluoromethyl)phenyl]sulfanylacetohydrazide
CID 60651104

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-hydroxyphenyl)sulfanylmethyl]phenyl]acetohydrazide?
The IUPAC name of 2-[4-[(3-hydroxyphenyl)sulfanylmethyl]phenyl]acetohydrazide (CID 105352545) is 2-[4-[(3-hydroxyphenyl)sulfanylmethyl]phenyl]acetohydrazide.
What is the SMILES notation for 2-[4-[(3-hydroxyphenyl)sulfanylmethyl]phenyl]acetohydrazide?
The canonical SMILES for 2-[4-[(3-hydroxyphenyl)sulfanylmethyl]phenyl]acetohydrazide is NNC(=O)Cc1ccc(CSc2cccc(O)c2)cc1.
What is the InChIKey of 2-[4-[(3-hydroxyphenyl)sulfanylmethyl]phenyl]acetohydrazide?
The InChIKey is CAFKHHMAOZLCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c16-17-15(19)8-11-4-6-12(7-5-11)10-20-14-3-1-2-13(18)9-14/h1-7,9,18H,8,10,16H2,(H,17,19).
What are the key properties of 2-[4-[(3-hydroxyphenyl)sulfanylmethyl]phenyl]acetohydrazide?
2-[4-[(3-hydroxyphenyl)sulfanylmethyl]phenyl]acetohydrazide has a molecular weight of 288.37 g/mol, XLogP of 2.22, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-hydroxyphenyl)sulfanylmethyl]phenyl]acetohydrazide is sourced from PubChem (CID 105352545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).