5-(oxolan-2-ylmethoxy)-1,2,4-thiadiazole-3-thione

C7H10N2O2S2 — CID 71120904

IUPAC5-(oxolan-2-ylmethoxy)-1,2,4-thiadiazole-3-thione
SMILESS=c1nc(OCC2CCCO2)s[nH]1
InChIInChI=1S/C7H10N2O2S2/c12-6-8-7(13-9-6)11-4-5-2-1-3-10-5/h5H,1-4H2,(H,9,12)
InChIKeyWTWYHKOAZSPUMN-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.76
Rot. Bonds3

About 5-(oxolan-2-ylmethoxy)-1,2,4-thiadiazole-3-thione

5-(oxolan-2-ylmethoxy)-1,2,4-thiadiazole-3-thione (PubChem CID 71120904) has the molecular formula C7H10N2O2S2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 5-(oxolan-2-ylmethoxy)-1,2,4-thiadiazole-3-thione.

Molecular Properties

Compound Name5-(oxolan-2-ylmethoxy)-1,2,4-thiadiazole-3-thione
PubChem CID71120904
Molecular FormulaC7H10N2O2S2
Molecular Weight218.30 g/mol
Exact Mass218.02
IUPAC Name5-(oxolan-2-ylmethoxy)-1,2,4-thiadiazole-3-thione
SMILESS=c1nc(OCC2CCCO2)s[nH]1
InChIInChI=1S/C7H10N2O2S2/c12-6-8-7(13-9-6)11-4-5-2-1-3-10-5/h5H,1-4H2,(H,9,12)
InChIKeyWTWYHKOAZSPUMN-UHFFFAOYSA-N
XLogP1.76
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(oxolan-2-ylmethoxy)-1,2,4-thiadiazole-3-thione 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 5-(oxolan-2-ylmethoxy)-1,2,4-thiadiazole-3-thione?
The IUPAC name of 5-(oxolan-2-ylmethoxy)-1,2,4-thiadiazole-3-thione (CID 71120904) is 5-(oxolan-2-ylmethoxy)-1,2,4-thiadiazole-3-thione.
What is the SMILES notation for 5-(oxolan-2-ylmethoxy)-1,2,4-thiadiazole-3-thione?
The canonical SMILES for 5-(oxolan-2-ylmethoxy)-1,2,4-thiadiazole-3-thione is S=c1nc(OCC2CCCO2)s[nH]1.
What is the InChIKey of 5-(oxolan-2-ylmethoxy)-1,2,4-thiadiazole-3-thione?
The InChIKey is WTWYHKOAZSPUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S2/c12-6-8-7(13-9-6)11-4-5-2-1-3-10-5/h5H,1-4H2,(H,9,12).
What are the key properties of 5-(oxolan-2-ylmethoxy)-1,2,4-thiadiazole-3-thione?
5-(oxolan-2-ylmethoxy)-1,2,4-thiadiazole-3-thione has a molecular weight of 218.30 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxolan-2-ylmethoxy)-1,2,4-thiadiazole-3-thione is sourced from PubChem (CID 71120904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).