3-cyclohexylthiane

C11H20S — CID 568197

IUPAC3-cyclohexylthiane
SMILESC1CCC(C2CCCSC2)CC1
InChIInChI=1S/C11H20S/c1-2-5-10(6-3-1)11-7-4-8-12-9-11/h10-11H,1-9H2
InChIKeyPPUJJIBLCWDZDN-UHFFFAOYSA-N
MW184.35 g/mol
LogP3.71
Rot. Bonds1

About 3-cyclohexylthiane

3-cyclohexylthiane (PubChem CID 568197) has the molecular formula C11H20S and a molecular weight of 184.35 g/mol. Its IUPAC name is 3-cyclohexylthiane.

Molecular Properties

Compound Name3-cyclohexylthiane
PubChem CID568197
Molecular FormulaC11H20S
Molecular Weight184.35 g/mol
Exact Mass184.13
IUPAC Name3-cyclohexylthiane
SMILESC1CCC(C2CCCSC2)CC1
InChIInChI=1S/C11H20S/c1-2-5-10(6-3-1)11-7-4-8-12-9-11/h10-11H,1-9H2
InChIKeyPPUJJIBLCWDZDN-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 3-cyclohexylthiane?
The IUPAC name of 3-cyclohexylthiane (CID 568197) is 3-cyclohexylthiane.
What is the SMILES notation for 3-cyclohexylthiane?
The canonical SMILES for 3-cyclohexylthiane is C1CCC(C2CCCSC2)CC1.
What is the InChIKey of 3-cyclohexylthiane?
The InChIKey is PPUJJIBLCWDZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20S/c1-2-5-10(6-3-1)11-7-4-8-12-9-11/h10-11H,1-9H2.
What are the key properties of 3-cyclohexylthiane?
3-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 3-cyclohexylthiane is sourced from PubChem (CID 568197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).