1-cyclopentyl-2-(thian-2-yl)ethanone

C12H20OS — CID 18547595

IUPAC1-cyclopentyl-2-(thian-2-yl)ethanone
SMILESO=C(CC1CCCCS1)C1CCCC1
InChIInChI=1S/C12H20OS/c13-12(10-5-1-2-6-10)9-11-7-3-4-8-14-11/h10-11H,1-9H2
InChIKeyZQXHVSICLBIHRT-UHFFFAOYSA-N
MW212.36 g/mol
LogP3.42
Rot. Bonds3

About 1-cyclopentyl-2-(thian-2-yl)ethanone

1-cyclopentyl-2-(thian-2-yl)ethanone (PubChem CID 18547595) has the molecular formula C12H20OS and a molecular weight of 212.36 g/mol. Its IUPAC name is 1-cyclopentyl-2-(thian-2-yl)ethanone.

Molecular Properties

Compound Name1-cyclopentyl-2-(thian-2-yl)ethanone
PubChem CID18547595
Molecular FormulaC12H20OS
Molecular Weight212.36 g/mol
Exact Mass212.12
IUPAC Name1-cyclopentyl-2-(thian-2-yl)ethanone
SMILESO=C(CC1CCCCS1)C1CCCC1
InChIInChI=1S/C12H20OS/c13-12(10-5-1-2-6-10)9-11-7-3-4-8-14-11/h10-11H,1-9H2
InChIKeyZQXHVSICLBIHRT-UHFFFAOYSA-N
XLogP3.42
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-(thian-2-yl)ethanone?
The IUPAC name of 1-cyclopentyl-2-(thian-2-yl)ethanone (CID 18547595) is 1-cyclopentyl-2-(thian-2-yl)ethanone.
What is the SMILES notation for 1-cyclopentyl-2-(thian-2-yl)ethanone?
The canonical SMILES for 1-cyclopentyl-2-(thian-2-yl)ethanone is O=C(CC1CCCCS1)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-(thian-2-yl)ethanone?
The InChIKey is ZQXHVSICLBIHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20OS/c13-12(10-5-1-2-6-10)9-11-7-3-4-8-14-11/h10-11H,1-9H2.
What are the key properties of 1-cyclopentyl-2-(thian-2-yl)ethanone?
1-cyclopentyl-2-(thian-2-yl)ethanone has a molecular weight of 212.36 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-(thian-2-yl)ethanone is sourced from PubChem (CID 18547595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).