thiacyclotridecane

C12H24S — CID 12543972

IUPACthiacyclotridecane
SMILESC1CCCCCCSCCCCC1
InChIInChI=1S/C12H24S/c1-2-4-6-8-10-12-13-11-9-7-5-3-1/h1-12H2
InChIKeyROWBXKQQQMGHMH-UHFFFAOYSA-N
MW200.39 g/mol
LogP4.63
Rot. Bonds

About thiacyclotridecane

thiacyclotridecane (PubChem CID 12543972) has the molecular formula C12H24S and a molecular weight of 200.39 g/mol. Its IUPAC name is thiacyclotridecane.

Molecular Properties

Compound Namethiacyclotridecane
PubChem CID12543972
Molecular FormulaC12H24S
Molecular Weight200.39 g/mol
Exact Mass200.16
IUPAC Namethiacyclotridecane
SMILESC1CCCCCCSCCCCC1
InChIInChI=1S/C12H24S/c1-2-4-6-8-10-12-13-11-9-7-5-3-1/h1-12H2
InChIKeyROWBXKQQQMGHMH-UHFFFAOYSA-N
XLogP4.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.39
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of thiacyclotridecane?
The IUPAC name of thiacyclotridecane (CID 12543972) is thiacyclotridecane.
What is the SMILES notation for thiacyclotridecane?
The canonical SMILES for thiacyclotridecane is C1CCCCCCSCCCCC1.
What is the InChIKey of thiacyclotridecane?
The InChIKey is ROWBXKQQQMGHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24S/c1-2-4-6-8-10-12-13-11-9-7-5-3-1/h1-12H2.
What are the key properties of thiacyclotridecane?
thiacyclotridecane has a molecular weight of 200.39 g/mol, XLogP of 4.63, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for thiacyclotridecane is sourced from PubChem (CID 12543972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).