4-(4-methylsulfanylphenoxy)pentanehydrazide

C12H18N2O2S — CID 55246737

IUPAC4-(4-methylsulfanylphenoxy)pentanehydrazide
SMILESCSc1ccc(OC(C)CCC(=O)NN)cc1
InChIInChI=1S/C12H18N2O2S/c1-9(3-8-12(15)14-13)16-10-4-6-11(17-2)7-5-10/h4-7,9H,3,8,13H2,1-2H3,(H,14,15)
InChIKeyDSTXHYROSIMCFU-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.95
Rot. Bonds6

About 4-(4-methylsulfanylphenoxy)pentanehydrazide

4-(4-methylsulfanylphenoxy)pentanehydrazide (PubChem CID 55246737) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 4-(4-methylsulfanylphenoxy)pentanehydrazide.

Molecular Properties

Compound Name4-(4-methylsulfanylphenoxy)pentanehydrazide
PubChem CID55246737
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name4-(4-methylsulfanylphenoxy)pentanehydrazide
SMILESCSc1ccc(OC(C)CCC(=O)NN)cc1
InChIInChI=1S/C12H18N2O2S/c1-9(3-8-12(15)14-13)16-10-4-6-11(17-2)7-5-10/h4-7,9H,3,8,13H2,1-2H3,(H,14,15)
InChIKeyDSTXHYROSIMCFU-UHFFFAOYSA-N
XLogP1.95
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.95
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

4-(4-methylsulfonylphenoxy)pentanehydrazide
CID 63569111
4-(4-cyanophenoxy)pentanehydrazide
CID 63574803
4-(3-fluorophenoxy)pentanehydrazide
CID 63575496
2-(4-methylsulfanylphenoxy)acetohydrazide
CID 16656066
4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentanehydrazide
CID 55214976
4-(4-methylsulfanylphenoxy)-N-propylpentan-1-amine
CID 63647563
4-(4-methoxyphenyl)sulfanylpentanehydrazide
CID 63580974
2-(4-methylsulfanylphenoxy)-N-propan-2-ylpropan-1-amine
CID 63648603
4-(2,4-difluorophenoxy)pentanehydrazide
CID 63575446
4-pentan-2-yloxybenzohydrazide
CID 57267352
4-(2-chlorophenoxy)pentanehydrazide
CID 63574443
methyl 4-(4-hydroxyphenoxy)pentanoate
CID 12919284

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylsulfanylphenoxy)pentanehydrazide?
The IUPAC name of 4-(4-methylsulfanylphenoxy)pentanehydrazide (CID 55246737) is 4-(4-methylsulfanylphenoxy)pentanehydrazide.
What is the SMILES notation for 4-(4-methylsulfanylphenoxy)pentanehydrazide?
The canonical SMILES for 4-(4-methylsulfanylphenoxy)pentanehydrazide is CSc1ccc(OC(C)CCC(=O)NN)cc1.
What is the InChIKey of 4-(4-methylsulfanylphenoxy)pentanehydrazide?
The InChIKey is DSTXHYROSIMCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-9(3-8-12(15)14-13)16-10-4-6-11(17-2)7-5-10/h4-7,9H,3,8,13H2,1-2H3,(H,14,15).
What are the key properties of 4-(4-methylsulfanylphenoxy)pentanehydrazide?
4-(4-methylsulfanylphenoxy)pentanehydrazide has a molecular weight of 254.35 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylsulfanylphenoxy)pentanehydrazide is sourced from PubChem (CID 55246737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).