(3S)-1-oxothiolane-3-thiol

C4H8OS2 — CID 14610926

IUPAC(3S)-1-oxothiolane-3-thiol
SMILESO=S1CC[C@H](S)C1
InChIInChI=1S/C4H8OS2/c5-7-2-1-4(6)3-7/h4,6H,1-3H2/t4-,7?/m0/s1
InChIKeyMXUIEFSYPPFKIF-LRYVRFSDSA-N
MW136.24 g/mol
LogP0.44
Rot. Bonds

About (3S)-1-oxothiolane-3-thiol

(3S)-1-oxothiolane-3-thiol (PubChem CID 14610926) has the molecular formula C4H8OS2 and a molecular weight of 136.24 g/mol. Its IUPAC name is (3S)-1-oxothiolane-3-thiol.

Molecular Properties

Compound Name(3S)-1-oxothiolane-3-thiol
PubChem CID14610926
Molecular FormulaC4H8OS2
Molecular Weight136.24 g/mol
Exact Mass136.00
IUPAC Name(3S)-1-oxothiolane-3-thiol
SMILESO=S1CC[C@H](S)C1
InChIInChI=1S/C4H8OS2/c5-7-2-1-4(6)3-7/h4,6H,1-3H2/t4-,7?/m0/s1
InChIKeyMXUIEFSYPPFKIF-LRYVRFSDSA-N
XLogP0.44
TPSA17.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3S)-1-oxothiolane-3-thiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-1-oxothiolane-3-thiol?
The IUPAC name of (3S)-1-oxothiolane-3-thiol (CID 14610926) is (3S)-1-oxothiolane-3-thiol.
What is the SMILES notation for (3S)-1-oxothiolane-3-thiol?
The canonical SMILES for (3S)-1-oxothiolane-3-thiol is O=S1CC[C@H](S)C1.
What is the InChIKey of (3S)-1-oxothiolane-3-thiol?
The InChIKey is MXUIEFSYPPFKIF-LRYVRFSDSA-N. The full InChI is InChI=1S/C4H8OS2/c5-7-2-1-4(6)3-7/h4,6H,1-3H2/t4-,7?/m0/s1.
What are the key properties of (3S)-1-oxothiolane-3-thiol?
(3S)-1-oxothiolane-3-thiol has a molecular weight of 136.24 g/mol, XLogP of 0.44, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-oxothiolane-3-thiol is sourced from PubChem (CID 14610926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).