2-[2-[(2-methylsulfanylphenoxy)methyl]phenyl]acetohydrazide

C16H18N2O2S — CID 115465259

IUPAC2-[2-[(2-methylsulfanylphenoxy)methyl]phenyl]acetohydrazide
SMILESCSc1ccccc1OCc1ccccc1CC(=O)NN
InChIInChI=1S/C16H18N2O2S/c1-21-15-9-5-4-8-14(15)20-11-13-7-3-2-6-12(13)10-16(19)18-17/h2-9H,10-11,17H2,1H3,(H,18,19)
InChIKeyIBCLNCJVCKBQJE-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.52
Rot. Bonds6

About 2-[2-[(2-methylsulfanylphenoxy)methyl]phenyl]acetohydrazide

2-[2-[(2-methylsulfanylphenoxy)methyl]phenyl]acetohydrazide (PubChem CID 115465259) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 2-[2-[(2-methylsulfanylphenoxy)methyl]phenyl]acetohydrazide.

Molecular Properties

Compound Name2-[2-[(2-methylsulfanylphenoxy)methyl]phenyl]acetohydrazide
PubChem CID115465259
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name2-[2-[(2-methylsulfanylphenoxy)methyl]phenyl]acetohydrazide
SMILESCSc1ccccc1OCc1ccccc1CC(=O)NN
InChIInChI=1S/C16H18N2O2S/c1-21-15-9-5-4-8-14(15)20-11-13-7-3-2-6-12(13)10-16(19)18-17/h2-9H,10-11,17H2,1H3,(H,18,19)
InChIKeyIBCLNCJVCKBQJE-UHFFFAOYSA-N
XLogP2.52
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.52
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

methyl 2-amino-6-[(2-methylsulfanylphenoxy)methyl]benzoate
CID 104825492
2-amino-6-[(2-methylsulfanylphenoxy)methyl]benzoic acid
CID 104825491
2-[2-[(4-bromo-2-methylphenoxy)methyl]phenyl]acetohydrazide
CID 115465253
2-[2-[(2-chloro-4-methylphenoxy)methyl]phenyl]acetohydrazide
CID 115465245
5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carbohydrazide
CID 63649744
3-[2-[(2-methylsulfanylphenoxy)methyl]phenyl]prop-2-enoic acid
CID 77003425
2-[2-[(2,6-dibromophenoxy)methyl]phenyl]acetohydrazide
CID 115465209
2-[2-[(3-fluorophenoxy)methyl]phenyl]acetohydrazide
CID 115465202
1-(2-methylsulfanylphenoxy)propan-2-one
CID 63649691
methyl 2-bromo-3-(2-methylsulfanylphenoxy)propanoate
CID 81091823
2-[2-(2,2,2-trifluoroethoxymethyl)phenyl]acetohydrazide
CID 115465158
methyl 3-(2-methylsulfanylphenoxy)propanoate
CID 63648637

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methylsulfanylphenoxy)methyl]phenyl]acetohydrazide?
The IUPAC name of 2-[2-[(2-methylsulfanylphenoxy)methyl]phenyl]acetohydrazide (CID 115465259) is 2-[2-[(2-methylsulfanylphenoxy)methyl]phenyl]acetohydrazide.
What is the SMILES notation for 2-[2-[(2-methylsulfanylphenoxy)methyl]phenyl]acetohydrazide?
The canonical SMILES for 2-[2-[(2-methylsulfanylphenoxy)methyl]phenyl]acetohydrazide is CSc1ccccc1OCc1ccccc1CC(=O)NN.
What is the InChIKey of 2-[2-[(2-methylsulfanylphenoxy)methyl]phenyl]acetohydrazide?
The InChIKey is IBCLNCJVCKBQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-21-15-9-5-4-8-14(15)20-11-13-7-3-2-6-12(13)10-16(19)18-17/h2-9H,10-11,17H2,1H3,(H,18,19).
What are the key properties of 2-[2-[(2-methylsulfanylphenoxy)methyl]phenyl]acetohydrazide?
2-[2-[(2-methylsulfanylphenoxy)methyl]phenyl]acetohydrazide has a molecular weight of 302.40 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methylsulfanylphenoxy)methyl]phenyl]acetohydrazide is sourced from PubChem (CID 115465259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).