2-(thiolan-2-yl)cyclohexan-1-one

C10H16OS — CID 11063090

IUPAC2-(thiolan-2-yl)cyclohexan-1-one
SMILESO=C1CCCCC1C1CCCS1
InChIInChI=1S/C10H16OS/c11-9-5-2-1-4-8(9)10-6-3-7-12-10/h8,10H,1-7H2
InChIKeyJYEHOJFAGHCAFC-UHFFFAOYSA-N
MW184.30 g/mol
LogP2.64
Rot. Bonds1

About 2-(thiolan-2-yl)cyclohexan-1-one

2-(thiolan-2-yl)cyclohexan-1-one (PubChem CID 11063090) has the molecular formula C10H16OS and a molecular weight of 184.30 g/mol. Its IUPAC name is 2-(thiolan-2-yl)cyclohexan-1-one.

Molecular Properties

Compound Name2-(thiolan-2-yl)cyclohexan-1-one
PubChem CID11063090
Molecular FormulaC10H16OS
Molecular Weight184.30 g/mol
Exact Mass184.09
IUPAC Name2-(thiolan-2-yl)cyclohexan-1-one
SMILESO=C1CCCCC1C1CCCS1
InChIInChI=1S/C10H16OS/c11-9-5-2-1-4-8(9)10-6-3-7-12-10/h8,10H,1-7H2
InChIKeyJYEHOJFAGHCAFC-UHFFFAOYSA-N
XLogP2.64
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.30
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(thiolan-2-yl)cyclohexan-1-one?
The IUPAC name of 2-(thiolan-2-yl)cyclohexan-1-one (CID 11063090) is 2-(thiolan-2-yl)cyclohexan-1-one.
What is the SMILES notation for 2-(thiolan-2-yl)cyclohexan-1-one?
The canonical SMILES for 2-(thiolan-2-yl)cyclohexan-1-one is O=C1CCCCC1C1CCCS1.
What is the InChIKey of 2-(thiolan-2-yl)cyclohexan-1-one?
The InChIKey is JYEHOJFAGHCAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16OS/c11-9-5-2-1-4-8(9)10-6-3-7-12-10/h8,10H,1-7H2.
What are the key properties of 2-(thiolan-2-yl)cyclohexan-1-one?
2-(thiolan-2-yl)cyclohexan-1-one has a molecular weight of 184.30 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiolan-2-yl)cyclohexan-1-one is sourced from PubChem (CID 11063090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).