oxadithiole;1,2-oxazole;1,3-oxazole

C8H8N2O3S2 — CID 161182717

IUPACoxadithiole;1,2-oxazole;1,3-oxazole
SMILESC1=CSSO1.c1cnoc1.c1cocn1
InChIInChI=1S/2C3H3NO.C2H2OS2/c1-2-5-3-4-1;2*1-2-4-5-3-1/h2*1-3H;1-2H
InChIKeyUSRIHFVUZKTMRV-UHFFFAOYSA-N
MW244.30 g/mol
LogP3.13
Rot. Bonds

About oxadithiole;1,2-oxazole;1,3-oxazole

oxadithiole;1,2-oxazole;1,3-oxazole (PubChem CID 161182717) has the molecular formula C8H8N2O3S2 and a molecular weight of 244.30 g/mol. Its IUPAC name is oxadithiole;1,2-oxazole;1,3-oxazole.

Molecular Properties

Compound Nameoxadithiole;1,2-oxazole;1,3-oxazole
PubChem CID161182717
Molecular FormulaC8H8N2O3S2
Molecular Weight244.30 g/mol
Exact Mass244.00
IUPAC Nameoxadithiole;1,2-oxazole;1,3-oxazole
SMILESC1=CSSO1.c1cnoc1.c1cocn1
InChIInChI=1S/2C3H3NO.C2H2OS2/c1-2-5-3-4-1;2*1-2-4-5-3-1/h2*1-3H;1-2H
InChIKeyUSRIHFVUZKTMRV-UHFFFAOYSA-N
XLogP3.13
TPSA61.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze oxadithiole;1,2-oxazole;1,3-oxazole 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 oxadithiole;1,2-oxazole;1,3-oxazole?
The IUPAC name of oxadithiole;1,2-oxazole;1,3-oxazole (CID 161182717) is oxadithiole;1,2-oxazole;1,3-oxazole.
What is the SMILES notation for oxadithiole;1,2-oxazole;1,3-oxazole?
The canonical SMILES for oxadithiole;1,2-oxazole;1,3-oxazole is C1=CSSO1.c1cnoc1.c1cocn1.
What is the InChIKey of oxadithiole;1,2-oxazole;1,3-oxazole?
The InChIKey is USRIHFVUZKTMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H3NO.C2H2OS2/c1-2-5-3-4-1;2*1-2-4-5-3-1/h2*1-3H;1-2H.
What are the key properties of oxadithiole;1,2-oxazole;1,3-oxazole?
oxadithiole;1,2-oxazole;1,3-oxazole has a molecular weight of 244.30 g/mol, XLogP of 3.13, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for oxadithiole;1,2-oxazole;1,3-oxazole is sourced from PubChem (CID 161182717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).