2-(5-cyclohexyl-1H-imidazol-2-yl)ethanethiol

C11H18N2S — CID 116879366

IUPAC2-(5-cyclohexyl-1H-imidazol-2-yl)ethanethiol
SMILESSCCc1ncc(C2CCCCC2)[nH]1
InChIInChI=1S/C11H18N2S/c14-7-6-11-12-8-10(13-11)9-4-2-1-3-5-9/h8-9,14H,1-7H2,(H,12,13)
InChIKeyIXBHFLIOCMPDFR-UHFFFAOYSA-N
MW210.35 g/mol
LogP2.93
Rot. Bonds3

About 2-(5-cyclohexyl-1H-imidazol-2-yl)ethanethiol

2-(5-cyclohexyl-1H-imidazol-2-yl)ethanethiol (PubChem CID 116879366) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is 2-(5-cyclohexyl-1H-imidazol-2-yl)ethanethiol.

Molecular Properties

Compound Name2-(5-cyclohexyl-1H-imidazol-2-yl)ethanethiol
PubChem CID116879366
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC Name2-(5-cyclohexyl-1H-imidazol-2-yl)ethanethiol
SMILESSCCc1ncc(C2CCCCC2)[nH]1
InChIInChI=1S/C11H18N2S/c14-7-6-11-12-8-10(13-11)9-4-2-1-3-5-9/h8-9,14H,1-7H2,(H,12,13)
InChIKeyIXBHFLIOCMPDFR-UHFFFAOYSA-N
XLogP2.93
TPSA28.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclohexyl-1H-imidazol-2-yl)ethanethiol?
The IUPAC name of 2-(5-cyclohexyl-1H-imidazol-2-yl)ethanethiol (CID 116879366) is 2-(5-cyclohexyl-1H-imidazol-2-yl)ethanethiol.
What is the SMILES notation for 2-(5-cyclohexyl-1H-imidazol-2-yl)ethanethiol?
The canonical SMILES for 2-(5-cyclohexyl-1H-imidazol-2-yl)ethanethiol is SCCc1ncc(C2CCCCC2)[nH]1.
What is the InChIKey of 2-(5-cyclohexyl-1H-imidazol-2-yl)ethanethiol?
The InChIKey is IXBHFLIOCMPDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c14-7-6-11-12-8-10(13-11)9-4-2-1-3-5-9/h8-9,14H,1-7H2,(H,12,13).
What are the key properties of 2-(5-cyclohexyl-1H-imidazol-2-yl)ethanethiol?
2-(5-cyclohexyl-1H-imidazol-2-yl)ethanethiol has a molecular weight of 210.35 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclohexyl-1H-imidazol-2-yl)ethanethiol is sourced from PubChem (CID 116879366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).