11-imidazol-1-ylundecane-1-thiol

C14H26N2S — CID 71310952

IUPAC11-imidazol-1-ylundecane-1-thiol
SMILESSCCCCCCCCCCCn1ccnc1
InChIInChI=1S/C14H26N2S/c17-13-9-7-5-3-1-2-4-6-8-11-16-12-10-15-14-16/h10,12,14,17H,1-9,11,13H2
InChIKeyQBAITUUPZOBZFD-UHFFFAOYSA-N
MW254.44 g/mol
LogP4.32
Rot. Bonds11

About 11-imidazol-1-ylundecane-1-thiol

11-imidazol-1-ylundecane-1-thiol (PubChem CID 71310952) has the molecular formula C14H26N2S and a molecular weight of 254.44 g/mol. Its IUPAC name is 11-imidazol-1-ylundecane-1-thiol.

Molecular Properties

Compound Name11-imidazol-1-ylundecane-1-thiol
PubChem CID71310952
Molecular FormulaC14H26N2S
Molecular Weight254.44 g/mol
Exact Mass254.18
IUPAC Name11-imidazol-1-ylundecane-1-thiol
SMILESSCCCCCCCCCCCn1ccnc1
InChIInChI=1S/C14H26N2S/c17-13-9-7-5-3-1-2-4-6-8-11-16-12-10-15-14-16/h10,12,14,17H,1-9,11,13H2
InChIKeyQBAITUUPZOBZFD-UHFFFAOYSA-N
XLogP4.32
TPSA17.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.44
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-Hexadecyl-3-methylimidazolium Chloride
CID 2734231
1-Decyl-3-methylimidazolium Bromide
CID 22078297
1-Methyl-3-octylimidazolium hexafluorophosphate
CID 2734243
1-Octyl-3-methylimidazolium chloride
CID 2734223
1-Pentyl-1H-imidazole
CID 529334
1,3-Didecyl-2-methyl-1H-imidazolium chloride
CID 2775940
1-Dodecylimidazole
CID 78002
1-Dodecyl-3-methyl-1H-imidazol-3-ium Chloride
CID 2734227
1-Methyl-3-octylimidazolium tetrafluoroborate
CID 11460221
1-Dodecyl-3-methylimidazolium tetrafluoroborate
CID 46226173
1-Hexyl-3-methylimidazolium chloride
CID 2734163
1-Decyl-3-methylimidazolium chloride
CID 2734225

Frequently Asked Questions

What is the IUPAC name of 11-imidazol-1-ylundecane-1-thiol?
The IUPAC name of 11-imidazol-1-ylundecane-1-thiol (CID 71310952) is 11-imidazol-1-ylundecane-1-thiol.
What is the SMILES notation for 11-imidazol-1-ylundecane-1-thiol?
The canonical SMILES for 11-imidazol-1-ylundecane-1-thiol is SCCCCCCCCCCCn1ccnc1.
What is the InChIKey of 11-imidazol-1-ylundecane-1-thiol?
The InChIKey is QBAITUUPZOBZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2S/c17-13-9-7-5-3-1-2-4-6-8-11-16-12-10-15-14-16/h10,12,14,17H,1-9,11,13H2.
What are the key properties of 11-imidazol-1-ylundecane-1-thiol?
11-imidazol-1-ylundecane-1-thiol has a molecular weight of 254.44 g/mol, XLogP of 4.32, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-imidazol-1-ylundecane-1-thiol is sourced from PubChem (CID 71310952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).