CID 20835775

C6H17O5SSn-2 — CID 20835775

IUPAC—
SMILESCC[Sn](CC)CC.O.O=S(=O)([O-])[O-]
InChIInChI=1S/3C2H5.H2O4S.H2O.Sn/c3*1-2;1-5(2,3)4;;/h3*1H2,2H3;(H2,1,2,3,4);1H2;/p-2
InChIKeyRAHDVEKXZNPPJZ-UHFFFAOYSA-L
MW319.98 g/mol
LogP0.38
Rot. Bonds3

About CID 20835775

CID 20835775 (PubChem CID 20835775) has the molecular formula C6H17O5SSn-2 and a molecular weight of 319.98 g/mol.

Molecular Properties

Compound NameCID 20835775
PubChem CID20835775
Molecular FormulaC6H17O5SSn-2
Molecular Weight319.98 g/mol
Exact Mass320.98
IUPAC Name—
SMILESCC[Sn](CC)CC.O.O=S(=O)([O-])[O-]
InChIInChI=1S/3C2H5.H2O4S.H2O.Sn/c3*1-2;1-5(2,3)4;;/h3*1H2,2H3;(H2,1,2,3,4);1H2;/p-2
InChIKeyRAHDVEKXZNPPJZ-UHFFFAOYSA-L
XLogP0.38
TPSA111.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.98
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 20835775?
The IUPAC name of CID 20835775 (CID 20835775) is not available.
What is the SMILES notation for CID 20835775?
The canonical SMILES for CID 20835775 is CC[Sn](CC)CC.O.O=S(=O)([O-])[O-].
What is the InChIKey of CID 20835775?
The InChIKey is RAHDVEKXZNPPJZ-UHFFFAOYSA-L. The full InChI is InChI=1S/3C2H5.H2O4S.H2O.Sn/c3*1-2;1-5(2,3)4;;/h3*1H2,2H3;(H2,1,2,3,4);1H2;/p-2.
What are the key properties of CID 20835775?
CID 20835775 has a molecular weight of 319.98 g/mol, XLogP of 0.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20835775 is sourced from PubChem (CID 20835775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).