2-methylsulfonylcyclopentane-1-thiol

C6H12O2S2 — CID 65046652

IUPAC2-methylsulfonylcyclopentane-1-thiol
SMILESCS(=O)(=O)C1CCCC1S
InChIInChI=1S/C6H12O2S2/c1-10(7,8)6-4-2-3-5(6)9/h5-6,9H,2-4H2,1H3
InChIKeyRKPWQTGNMSYYJL-UHFFFAOYSA-N
MW180.29 g/mol
LogP0.88
Rot. Bonds1

About 2-methylsulfonylcyclopentane-1-thiol

2-methylsulfonylcyclopentane-1-thiol (PubChem CID 65046652) has the molecular formula C6H12O2S2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 2-methylsulfonylcyclopentane-1-thiol.

Molecular Properties

Compound Name2-methylsulfonylcyclopentane-1-thiol
PubChem CID65046652
Molecular FormulaC6H12O2S2
Molecular Weight180.29 g/mol
Exact Mass180.03
IUPAC Name2-methylsulfonylcyclopentane-1-thiol
SMILESCS(=O)(=O)C1CCCC1S
InChIInChI=1S/C6H12O2S2/c1-10(7,8)6-4-2-3-5(6)9/h5-6,9H,2-4H2,1H3
InChIKeyRKPWQTGNMSYYJL-UHFFFAOYSA-N
XLogP0.88
TPSA34.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonylcyclopentane-1-thiol?
The IUPAC name of 2-methylsulfonylcyclopentane-1-thiol (CID 65046652) is 2-methylsulfonylcyclopentane-1-thiol.
What is the SMILES notation for 2-methylsulfonylcyclopentane-1-thiol?
The canonical SMILES for 2-methylsulfonylcyclopentane-1-thiol is CS(=O)(=O)C1CCCC1S.
What is the InChIKey of 2-methylsulfonylcyclopentane-1-thiol?
The InChIKey is RKPWQTGNMSYYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2S2/c1-10(7,8)6-4-2-3-5(6)9/h5-6,9H,2-4H2,1H3.
What are the key properties of 2-methylsulfonylcyclopentane-1-thiol?
2-methylsulfonylcyclopentane-1-thiol has a molecular weight of 180.29 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonylcyclopentane-1-thiol is sourced from PubChem (CID 65046652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).