4-cyclohexylthiane

C11H20S — CID 543539

IUPAC4-cyclohexylthiane
SMILESC1CCC(C2CCSCC2)CC1
InChIInChI=1S/C11H20S/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h10-11H,1-9H2
InChIKeyYQSCSIFOZPJIRG-UHFFFAOYSA-N
MW184.35 g/mol
LogP3.71
Rot. Bonds1

About 4-cyclohexylthiane

4-cyclohexylthiane (PubChem CID 543539) has the molecular formula C11H20S and a molecular weight of 184.35 g/mol. Its IUPAC name is 4-cyclohexylthiane.

Molecular Properties

Compound Name4-cyclohexylthiane
PubChem CID543539
Molecular FormulaC11H20S
Molecular Weight184.35 g/mol
Exact Mass184.13
IUPAC Name4-cyclohexylthiane
SMILESC1CCC(C2CCSCC2)CC1
InChIInChI=1S/C11H20S/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h10-11H,1-9H2
InChIKeyYQSCSIFOZPJIRG-UHFFFAOYSA-N
XLogP3.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.35
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexylthiane?
The IUPAC name of 4-cyclohexylthiane (CID 543539) is 4-cyclohexylthiane.
What is the SMILES notation for 4-cyclohexylthiane?
The canonical SMILES for 4-cyclohexylthiane is C1CCC(C2CCSCC2)CC1.
What is the InChIKey of 4-cyclohexylthiane?
The InChIKey is YQSCSIFOZPJIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20S/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h10-11H,1-9H2.
What are the key properties of 4-cyclohexylthiane?
4-cyclohexylthiane has a molecular weight of 184.35 g/mol, XLogP of 3.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexylthiane is sourced from PubChem (CID 543539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).