CID 87204647

C3H8O4SSn — CID 87204647

IUPAC—
SMILESCC(O)CS(=O)(=O)O.[Sn]
InChIInChI=1S/C3H8O4S.Sn/c1-3(4)2-8(5,6)7;/h3-4H,2H2,1H3,(H,5,6,7);
InChIKeyCHXRHAMFIVEARH-UHFFFAOYSA-N
MW258.87 g/mol
LogP-1.13
Rot. Bonds2

About CID 87204647

CID 87204647 (PubChem CID 87204647) has the molecular formula C3H8O4SSn and a molecular weight of 258.87 g/mol.

Molecular Properties

Compound NameCID 87204647
PubChem CID87204647
Molecular FormulaC3H8O4SSn
Molecular Weight258.87 g/mol
Exact Mass259.92
IUPAC Name—
SMILESCC(O)CS(=O)(=O)O.[Sn]
InChIInChI=1S/C3H8O4S.Sn/c1-3(4)2-8(5,6)7;/h3-4H,2H2,1H3,(H,5,6,7);
InChIKeyCHXRHAMFIVEARH-UHFFFAOYSA-N
XLogP-1.13
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.87
LogP ≤ 5-1.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 87204647?
The IUPAC name of CID 87204647 (CID 87204647) is not available.
What is the SMILES notation for CID 87204647?
The canonical SMILES for CID 87204647 is CC(O)CS(=O)(=O)O.[Sn].
What is the InChIKey of CID 87204647?
The InChIKey is CHXRHAMFIVEARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O4S.Sn/c1-3(4)2-8(5,6)7;/h3-4H,2H2,1H3,(H,5,6,7);.
What are the key properties of CID 87204647?
CID 87204647 has a molecular weight of 258.87 g/mol, XLogP of -1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87204647 is sourced from PubChem (CID 87204647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).