2-thiophen-2-ylsulfanylcyclopentan-1-one

C9H10OS2 — CID 43801922

IUPAC2-thiophen-2-ylsulfanylcyclopentan-1-one
SMILESO=C1CCCC1Sc1cccs1
InChIInChI=1S/C9H10OS2/c10-7-3-1-4-8(7)12-9-5-2-6-11-9/h2,5-6,8H,1,3-4H2
InChIKeyNYSXKEQTLWSDPF-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.96
Rot. Bonds2

About 2-thiophen-2-ylsulfanylcyclopentan-1-one

2-thiophen-2-ylsulfanylcyclopentan-1-one (PubChem CID 43801922) has the molecular formula C9H10OS2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-thiophen-2-ylsulfanylcyclopentan-1-one.

Molecular Properties

Compound Name2-thiophen-2-ylsulfanylcyclopentan-1-one
PubChem CID43801922
Molecular FormulaC9H10OS2
Molecular Weight198.31 g/mol
Exact Mass198.02
IUPAC Name2-thiophen-2-ylsulfanylcyclopentan-1-one
SMILESO=C1CCCC1Sc1cccs1
InChIInChI=1S/C9H10OS2/c10-7-3-1-4-8(7)12-9-5-2-6-11-9/h2,5-6,8H,1,3-4H2
InChIKeyNYSXKEQTLWSDPF-UHFFFAOYSA-N
XLogP2.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-ylsulfanylcyclopentan-1-one?
The IUPAC name of 2-thiophen-2-ylsulfanylcyclopentan-1-one (CID 43801922) is 2-thiophen-2-ylsulfanylcyclopentan-1-one.
What is the SMILES notation for 2-thiophen-2-ylsulfanylcyclopentan-1-one?
The canonical SMILES for 2-thiophen-2-ylsulfanylcyclopentan-1-one is O=C1CCCC1Sc1cccs1.
What is the InChIKey of 2-thiophen-2-ylsulfanylcyclopentan-1-one?
The InChIKey is NYSXKEQTLWSDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10OS2/c10-7-3-1-4-8(7)12-9-5-2-6-11-9/h2,5-6,8H,1,3-4H2.
What are the key properties of 2-thiophen-2-ylsulfanylcyclopentan-1-one?
2-thiophen-2-ylsulfanylcyclopentan-1-one has a molecular weight of 198.31 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-ylsulfanylcyclopentan-1-one is sourced from PubChem (CID 43801922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).