CID 134850393

C18H15ClCu2S2Sn-2 — CID 134850393

IUPAC—
SMILESCl[Cu].[Cu].[S-][S-].c1ccc([Sn](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/3C6H5.ClH.2Cu.S2.Sn/c3*1-2-4-6-5-3-1;;;;1-2;/h3*1-5H;1H;;;;/q;;;;;+1;-2;/p-1
InChIKeyRXACNKYIMFWOKP-UHFFFAOYSA-M
MW576.71 g/mol
LogP2.88
Rot. Bonds3

About CID 134850393

CID 134850393 (PubChem CID 134850393) has the molecular formula C18H15ClCu2S2Sn-2 and a molecular weight of 576.71 g/mol.

Molecular Properties

Compound NameCID 134850393
PubChem CID134850393
Molecular FormulaC18H15ClCu2S2Sn-2
Molecular Weight576.71 g/mol
Exact Mass575.79
IUPAC Name—
SMILESCl[Cu].[Cu].[S-][S-].c1ccc([Sn](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/3C6H5.ClH.2Cu.S2.Sn/c3*1-2-4-6-5-3-1;;;;1-2;/h3*1-5H;1H;;;;/q;;;;;+1;-2;/p-1
InChIKeyRXACNKYIMFWOKP-UHFFFAOYSA-M
XLogP2.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500576.71
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 134850393?
The IUPAC name of CID 134850393 (CID 134850393) is not available.
What is the SMILES notation for CID 134850393?
The canonical SMILES for CID 134850393 is Cl[Cu].[Cu].[S-][S-].c1ccc([Sn](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of CID 134850393?
The InChIKey is RXACNKYIMFWOKP-UHFFFAOYSA-M. The full InChI is InChI=1S/3C6H5.ClH.2Cu.S2.Sn/c3*1-2-4-6-5-3-1;;;;1-2;/h3*1-5H;1H;;;;/q;;;;;+1;-2;/p-1.
What are the key properties of CID 134850393?
CID 134850393 has a molecular weight of 576.71 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134850393 is sourced from PubChem (CID 134850393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).