2-cycloheptylthiolane

C11H20S — CID 173272603

IUPAC2-cycloheptylthiolane
SMILESC1CCCC(C2CCCS2)CC1
InChIInChI=1S/C11H20S/c1-2-4-7-10(6-3-1)11-8-5-9-12-11/h10-11H,1-9H2
InChIKeyXHWDCHKALZNETP-UHFFFAOYSA-N
MW184.35 g/mol
LogP3.85
Rot. Bonds1

About 2-cycloheptylthiolane

2-cycloheptylthiolane (PubChem CID 173272603) has the molecular formula C11H20S and a molecular weight of 184.35 g/mol. Its IUPAC name is 2-cycloheptylthiolane.

Molecular Properties

Compound Name2-cycloheptylthiolane
PubChem CID173272603
Molecular FormulaC11H20S
Molecular Weight184.35 g/mol
Exact Mass184.13
IUPAC Name2-cycloheptylthiolane
SMILESC1CCCC(C2CCCS2)CC1
InChIInChI=1S/C11H20S/c1-2-4-7-10(6-3-1)11-8-5-9-12-11/h10-11H,1-9H2
InChIKeyXHWDCHKALZNETP-UHFFFAOYSA-N
XLogP3.85
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 ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cycloheptylthiolane?
The IUPAC name of 2-cycloheptylthiolane (CID 173272603) is 2-cycloheptylthiolane.
What is the SMILES notation for 2-cycloheptylthiolane?
The canonical SMILES for 2-cycloheptylthiolane is C1CCCC(C2CCCS2)CC1.
What is the InChIKey of 2-cycloheptylthiolane?
The InChIKey is XHWDCHKALZNETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20S/c1-2-4-7-10(6-3-1)11-8-5-9-12-11/h10-11H,1-9H2.
What are the key properties of 2-cycloheptylthiolane?
2-cycloheptylthiolane has a molecular weight of 184.35 g/mol, XLogP of 3.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptylthiolane is sourced from PubChem (CID 173272603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).