CID 173438464

C24H50S2Sb2-2 — CID 173438464

IUPAC—
SMILESCCCCCCCCCCCC[S-].CCCCCCCCCCCC[S-].[Sb].[Sb]
InChIInChI=1S/2C12H26S.2Sb/c2*1-2-3-4-5-6-7-8-9-10-11-12-13;;/h2*13H,2-12H2,1H3;;/p-2
InChIKeyPMCVUUZKHXDWFQ-UHFFFAOYSA-L
MW646.32 g/mol
LogP8.15
Rot. Bonds20

About CID 173438464

CID 173438464 (PubChem CID 173438464) has the molecular formula C24H50S2Sb2-2 and a molecular weight of 646.32 g/mol.

Molecular Properties

Compound NameCID 173438464
PubChem CID173438464
Molecular FormulaC24H50S2Sb2-2
Molecular Weight646.32 g/mol
Exact Mass644.14
IUPAC Name—
SMILESCCCCCCCCCCCC[S-].CCCCCCCCCCCC[S-].[Sb].[Sb]
InChIInChI=1S/2C12H26S.2Sb/c2*1-2-3-4-5-6-7-8-9-10-11-12-13;;/h2*13H,2-12H2,1H3;;/p-2
InChIKeyPMCVUUZKHXDWFQ-UHFFFAOYSA-L
XLogP8.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.32
LogP ≤ 58.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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silver hexadecane-1-thiolate
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silver octadecane-1-thiolate
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potassium octane-1-thiolate
CID 23682502
hexane-1-thiolate;titanium(4+)
CID 172788894
gold(1+);tetradecane-1-thiolate
CID 118692951
manganese(2+);bis(octane-1-thiolate)
CID 88657665
bis(decane-1-thiolate);dimethyltin(2+)
CID 21453567
mercury(2+);pentane-1-thiolate;iodide
CID 101041651
CID 134927802
CID 134927802
dioctyltin(2+);bis(octane-1-thiolate)
CID 23177277
tetrakis(butane-1-thiolate);tin(4+)
CID 102601027

Frequently Asked Questions

What is the IUPAC name of CID 173438464?
The IUPAC name of CID 173438464 (CID 173438464) is not available.
What is the SMILES notation for CID 173438464?
The canonical SMILES for CID 173438464 is CCCCCCCCCCCC[S-].CCCCCCCCCCCC[S-].[Sb].[Sb].
What is the InChIKey of CID 173438464?
The InChIKey is PMCVUUZKHXDWFQ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C12H26S.2Sb/c2*1-2-3-4-5-6-7-8-9-10-11-12-13;;/h2*13H,2-12H2,1H3;;/p-2.
What are the key properties of CID 173438464?
CID 173438464 has a molecular weight of 646.32 g/mol, XLogP of 8.15, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173438464 is sourced from PubChem (CID 173438464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).