CID 175425911

C2H6O6S2Sn — CID 175425911

IUPAC—
SMILESC[Sn+2]C.O=S(=O)([O-])S(=O)(=O)[O-]
InChIInChI=1S/2CH3.H2O6S2.Sn/c;;1-7(2,3)8(4,5)6;/h2*1H3;(H,1,2,3)(H,4,5,6);/q;;;+2/p-2
InChIKeyGPICJCGUQPHCEJ-UHFFFAOYSA-L
MW308.91 g/mol
LogP-1.22
Rot. Bonds1

About CID 175425911

CID 175425911 (PubChem CID 175425911) has the molecular formula C2H6O6S2Sn and a molecular weight of 308.91 g/mol.

Molecular Properties

Compound NameCID 175425911
PubChem CID175425911
Molecular FormulaC2H6O6S2Sn
Molecular Weight308.91 g/mol
Exact Mass309.86
IUPAC Name—
SMILESC[Sn+2]C.O=S(=O)([O-])S(=O)(=O)[O-]
InChIInChI=1S/2CH3.H2O6S2.Sn/c;;1-7(2,3)8(4,5)6;/h2*1H3;(H,1,2,3)(H,4,5,6);/q;;;+2/p-2
InChIKeyGPICJCGUQPHCEJ-UHFFFAOYSA-L
XLogP-1.22
TPSA114.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.91
LogP ≤ 5-1.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 175425911?
The IUPAC name of CID 175425911 (CID 175425911) is not available.
What is the SMILES notation for CID 175425911?
The canonical SMILES for CID 175425911 is C[Sn+2]C.O=S(=O)([O-])S(=O)(=O)[O-].
What is the InChIKey of CID 175425911?
The InChIKey is GPICJCGUQPHCEJ-UHFFFAOYSA-L. The full InChI is InChI=1S/2CH3.H2O6S2.Sn/c;;1-7(2,3)8(4,5)6;/h2*1H3;(H,1,2,3)(H,4,5,6);/q;;;+2/p-2.
What are the key properties of CID 175425911?
CID 175425911 has a molecular weight of 308.91 g/mol, XLogP of -1.22, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175425911 is sourced from PubChem (CID 175425911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).