3,5-bis(sulfanylmethyl)oxolan-2-one

C6H10O2S2 — CID 19378144

IUPAC3,5-bis(sulfanylmethyl)oxolan-2-one
SMILESO=C1OC(CS)CC1CS
InChIInChI=1S/C6H10O2S2/c7-6-4(2-9)1-5(3-10)8-6/h4-5,9-10H,1-3H2
InChIKeyAAFQPMAIGSTFGN-UHFFFAOYSA-N
MW178.28 g/mol
LogP0.78
Rot. Bonds2

About 3,5-bis(sulfanylmethyl)oxolan-2-one

3,5-bis(sulfanylmethyl)oxolan-2-one (PubChem CID 19378144) has the molecular formula C6H10O2S2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 3,5-bis(sulfanylmethyl)oxolan-2-one.

Molecular Properties

Compound Name3,5-bis(sulfanylmethyl)oxolan-2-one
PubChem CID19378144
Molecular FormulaC6H10O2S2
Molecular Weight178.28 g/mol
Exact Mass178.01
IUPAC Name3,5-bis(sulfanylmethyl)oxolan-2-one
SMILESO=C1OC(CS)CC1CS
InChIInChI=1S/C6H10O2S2/c7-6-4(2-9)1-5(3-10)8-6/h4-5,9-10H,1-3H2
InChIKeyAAFQPMAIGSTFGN-UHFFFAOYSA-N
XLogP0.78
TPSA26.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3,5-bis(sulfanylmethyl)oxolan-2-one 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 3,5-bis(sulfanylmethyl)oxolan-2-one?
The IUPAC name of 3,5-bis(sulfanylmethyl)oxolan-2-one (CID 19378144) is 3,5-bis(sulfanylmethyl)oxolan-2-one.
What is the SMILES notation for 3,5-bis(sulfanylmethyl)oxolan-2-one?
The canonical SMILES for 3,5-bis(sulfanylmethyl)oxolan-2-one is O=C1OC(CS)CC1CS.
What is the InChIKey of 3,5-bis(sulfanylmethyl)oxolan-2-one?
The InChIKey is AAFQPMAIGSTFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2S2/c7-6-4(2-9)1-5(3-10)8-6/h4-5,9-10H,1-3H2.
What are the key properties of 3,5-bis(sulfanylmethyl)oxolan-2-one?
3,5-bis(sulfanylmethyl)oxolan-2-one has a molecular weight of 178.28 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(sulfanylmethyl)oxolan-2-one is sourced from PubChem (CID 19378144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).