CID 88807568

C5H7O2SSn — CID 88807568

IUPAC—
SMILESO=C(OCC=S)[Sn]1CC1
InChIInChI=1S/C3H3O2S.C2H4.Sn/c4-3-5-1-2-6;1-2;/h2H,1H2;1-2H2;
InChIKeyITAQSLVENWYDOK-UHFFFAOYSA-N
MW249.89 g/mol
LogP1.21
Rot. Bonds3

About CID 88807568

CID 88807568 (PubChem CID 88807568) has the molecular formula C5H7O2SSn and a molecular weight of 249.89 g/mol.

Molecular Properties

Compound NameCID 88807568
PubChem CID88807568
Molecular FormulaC5H7O2SSn
Molecular Weight249.89 g/mol
Exact Mass250.92
IUPAC Name—
SMILESO=C(OCC=S)[Sn]1CC1
InChIInChI=1S/C3H3O2S.C2H4.Sn/c4-3-5-1-2-6;1-2;/h2H,1H2;1-2H2;
InChIKeyITAQSLVENWYDOK-UHFFFAOYSA-N
XLogP1.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.89
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze CID 88807568 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 CID 88807568?
The IUPAC name of CID 88807568 (CID 88807568) is not available.
What is the SMILES notation for CID 88807568?
The canonical SMILES for CID 88807568 is O=C(OCC=S)[Sn]1CC1.
What is the InChIKey of CID 88807568?
The InChIKey is ITAQSLVENWYDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3O2S.C2H4.Sn/c4-3-5-1-2-6;1-2;/h2H,1H2;1-2H2;.
What are the key properties of CID 88807568?
CID 88807568 has a molecular weight of 249.89 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88807568 is sourced from PubChem (CID 88807568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).