[5-(4-ethylsulfanylphenyl)-1H-imidazol-2-yl]hydrazine

C11H14N4S — CID 116884155

IUPAC[5-(4-ethylsulfanylphenyl)-1H-imidazol-2-yl]hydrazine
SMILESCCSc1ccc(-c2cnc(NN)[nH]2)cc1
InChIInChI=1S/C11H14N4S/c1-2-16-9-5-3-8(4-6-9)10-7-13-11(14-10)15-12/h3-7H,2,12H2,1H3,(H2,13,14,15)
InChIKeyGZEKNSPPJUDPNY-UHFFFAOYSA-N
MW234.33 g/mol
LogP2.47
Rot. Bonds4

About [5-(4-ethylsulfanylphenyl)-1H-imidazol-2-yl]hydrazine

[5-(4-ethylsulfanylphenyl)-1H-imidazol-2-yl]hydrazine (PubChem CID 116884155) has the molecular formula C11H14N4S and a molecular weight of 234.33 g/mol. Its IUPAC name is [5-(4-ethylsulfanylphenyl)-1H-imidazol-2-yl]hydrazine.

Molecular Properties

Compound Name[5-(4-ethylsulfanylphenyl)-1H-imidazol-2-yl]hydrazine
PubChem CID116884155
Molecular FormulaC11H14N4S
Molecular Weight234.33 g/mol
Exact Mass234.09
IUPAC Name[5-(4-ethylsulfanylphenyl)-1H-imidazol-2-yl]hydrazine
SMILESCCSc1ccc(-c2cnc(NN)[nH]2)cc1
InChIInChI=1S/C11H14N4S/c1-2-16-9-5-3-8(4-6-9)10-7-13-11(14-10)15-12/h3-7H,2,12H2,1H3,(H2,13,14,15)
InChIKeyGZEKNSPPJUDPNY-UHFFFAOYSA-N
XLogP2.47
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 [5-(4-ethylsulfanylphenyl)-1H-imidazol-2-yl]hydrazine?
The IUPAC name of [5-(4-ethylsulfanylphenyl)-1H-imidazol-2-yl]hydrazine (CID 116884155) is [5-(4-ethylsulfanylphenyl)-1H-imidazol-2-yl]hydrazine.
What is the SMILES notation for [5-(4-ethylsulfanylphenyl)-1H-imidazol-2-yl]hydrazine?
The canonical SMILES for [5-(4-ethylsulfanylphenyl)-1H-imidazol-2-yl]hydrazine is CCSc1ccc(-c2cnc(NN)[nH]2)cc1.
What is the InChIKey of [5-(4-ethylsulfanylphenyl)-1H-imidazol-2-yl]hydrazine?
The InChIKey is GZEKNSPPJUDPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4S/c1-2-16-9-5-3-8(4-6-9)10-7-13-11(14-10)15-12/h3-7H,2,12H2,1H3,(H2,13,14,15).
What are the key properties of [5-(4-ethylsulfanylphenyl)-1H-imidazol-2-yl]hydrazine?
[5-(4-ethylsulfanylphenyl)-1H-imidazol-2-yl]hydrazine has a molecular weight of 234.33 g/mol, XLogP of 2.47, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-ethylsulfanylphenyl)-1H-imidazol-2-yl]hydrazine is sourced from PubChem (CID 116884155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).