CID 10896224

C18H22O2PS2Sb- — CID 10896224

IUPAC—
SMILESCC1(C)OP(=S)([S-])OC1(C)C.c1ccc([Sb]c2ccccc2)cc1
InChIInChI=1S/C6H13O2PS2.2C6H5.Sb/c1-5(2)6(3,4)8-9(10,11)7-5;2*1-2-4-6-5-3-1;/h1-4H3,(H,10,11);2*1-5H;/p-1
InChIKeyQPDFESPPMLMQSQ-UHFFFAOYSA-M
MW487.24 g/mol
LogP3.70
Rot. Bonds2

About CID 10896224

CID 10896224 (PubChem CID 10896224) has the molecular formula C18H22O2PS2Sb- and a molecular weight of 487.24 g/mol.

Molecular Properties

Compound NameCID 10896224
PubChem CID10896224
Molecular FormulaC18H22O2PS2Sb-
Molecular Weight487.24 g/mol
Exact Mass485.98
IUPAC Name—
SMILESCC1(C)OP(=S)([S-])OC1(C)C.c1ccc([Sb]c2ccccc2)cc1
InChIInChI=1S/C6H13O2PS2.2C6H5.Sb/c1-5(2)6(3,4)8-9(10,11)7-5;2*1-2-4-6-5-3-1;/h1-4H3,(H,10,11);2*1-5H;/p-1
InChIKeyQPDFESPPMLMQSQ-UHFFFAOYSA-M
XLogP3.70
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.24
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 10896224?
The IUPAC name of CID 10896224 (CID 10896224) is not available.
What is the SMILES notation for CID 10896224?
The canonical SMILES for CID 10896224 is CC1(C)OP(=S)([S-])OC1(C)C.c1ccc([Sb]c2ccccc2)cc1.
What is the InChIKey of CID 10896224?
The InChIKey is QPDFESPPMLMQSQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H13O2PS2.2C6H5.Sb/c1-5(2)6(3,4)8-9(10,11)7-5;2*1-2-4-6-5-3-1;/h1-4H3,(H,10,11);2*1-5H;/p-1.
What are the key properties of CID 10896224?
CID 10896224 has a molecular weight of 487.24 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10896224 is sourced from PubChem (CID 10896224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).