4-(2-methyl-1H-imidazol-5-yl)cyclohexane-1-thiol

C10H16N2S — CID 144689956

IUPAC4-(2-methyl-1H-imidazol-5-yl)cyclohexane-1-thiol
SMILESCc1ncc(C2CCC(S)CC2)[nH]1
InChIInChI=1S/C10H16N2S/c1-7-11-6-10(12-7)8-2-4-9(13)5-3-8/h6,8-9,13H,2-5H2,1H3,(H,11,12)
InChIKeyFWFZTAXZRJZQHM-UHFFFAOYSA-N
MW196.32 g/mol
LogP2.67
Rot. Bonds1

About 4-(2-methyl-1H-imidazol-5-yl)cyclohexane-1-thiol

4-(2-methyl-1H-imidazol-5-yl)cyclohexane-1-thiol (PubChem CID 144689956) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is 4-(2-methyl-1H-imidazol-5-yl)cyclohexane-1-thiol.

Molecular Properties

Compound Name4-(2-methyl-1H-imidazol-5-yl)cyclohexane-1-thiol
PubChem CID144689956
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC Name4-(2-methyl-1H-imidazol-5-yl)cyclohexane-1-thiol
SMILESCc1ncc(C2CCC(S)CC2)[nH]1
InChIInChI=1S/C10H16N2S/c1-7-11-6-10(12-7)8-2-4-9(13)5-3-8/h6,8-9,13H,2-5H2,1H3,(H,11,12)
InChIKeyFWFZTAXZRJZQHM-UHFFFAOYSA-N
XLogP2.67
TPSA28.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 52.67
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 4-(2-methyl-1H-imidazol-5-yl)cyclohexane-1-thiol?
The IUPAC name of 4-(2-methyl-1H-imidazol-5-yl)cyclohexane-1-thiol (CID 144689956) is 4-(2-methyl-1H-imidazol-5-yl)cyclohexane-1-thiol.
What is the SMILES notation for 4-(2-methyl-1H-imidazol-5-yl)cyclohexane-1-thiol?
The canonical SMILES for 4-(2-methyl-1H-imidazol-5-yl)cyclohexane-1-thiol is Cc1ncc(C2CCC(S)CC2)[nH]1.
What is the InChIKey of 4-(2-methyl-1H-imidazol-5-yl)cyclohexane-1-thiol?
The InChIKey is FWFZTAXZRJZQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-7-11-6-10(12-7)8-2-4-9(13)5-3-8/h6,8-9,13H,2-5H2,1H3,(H,11,12).
What are the key properties of 4-(2-methyl-1H-imidazol-5-yl)cyclohexane-1-thiol?
4-(2-methyl-1H-imidazol-5-yl)cyclohexane-1-thiol has a molecular weight of 196.32 g/mol, XLogP of 2.67, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1H-imidazol-5-yl)cyclohexane-1-thiol is sourced from PubChem (CID 144689956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).