CID 173161115

C12H18O6P2S2Sb — CID 173161115

IUPAC—
SMILESOP(O)(O)=S.OP(O)(O)=S.[Sb].c1ccccc1.c1ccccc1
InChIInChI=1S/2C6H6.2H3O3PS.Sb/c2*1-2-4-6-5-3-1;2*1-4(2,3)5;/h2*1-6H;2*(H3,1,2,3,5);
InChIKeyQMFNBXGOIQKFIG-UHFFFAOYSA-N
MW506.11 g/mol
LogP1.37
Rot. Bonds

About CID 173161115

CID 173161115 (PubChem CID 173161115) has the molecular formula C12H18O6P2S2Sb and a molecular weight of 506.11 g/mol.

Molecular Properties

Compound NameCID 173161115
PubChem CID173161115
Molecular FormulaC12H18O6P2S2Sb
Molecular Weight506.11 g/mol
Exact Mass504.91
IUPAC Name—
SMILESOP(O)(O)=S.OP(O)(O)=S.[Sb].c1ccccc1.c1ccccc1
InChIInChI=1S/2C6H6.2H3O3PS.Sb/c2*1-2-4-6-5-3-1;2*1-4(2,3)5;/h2*1-6H;2*(H3,1,2,3,5);
InChIKeyQMFNBXGOIQKFIG-UHFFFAOYSA-N
XLogP1.37
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.11
LogP ≤ 51.37
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 173161115?
The IUPAC name of CID 173161115 (CID 173161115) is not available.
What is the SMILES notation for CID 173161115?
The canonical SMILES for CID 173161115 is OP(O)(O)=S.OP(O)(O)=S.[Sb].c1ccccc1.c1ccccc1.
What is the InChIKey of CID 173161115?
The InChIKey is QMFNBXGOIQKFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H6.2H3O3PS.Sb/c2*1-2-4-6-5-3-1;2*1-4(2,3)5;/h2*1-6H;2*(H3,1,2,3,5);.
What are the key properties of CID 173161115?
CID 173161115 has a molecular weight of 506.11 g/mol, XLogP of 1.37, 0 rotatable bonds, 6 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173161115 is sourced from PubChem (CID 173161115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).