dodecane-1-thiol;palladium

C12H26PdS — CID 174472866

IUPACdodecane-1-thiol;palladium
SMILESCCCCCCCCCCCCS.[Pd]
InChIInChI=1S/C12H26S.Pd/c1-2-3-4-5-6-7-8-9-10-11-12-13;/h13H,2-12H2,1H3;
InChIKeyJUPKGRMNORXMPQ-UHFFFAOYSA-N
MW308.83 g/mol
LogP4.83
Rot. Bonds10

About dodecane-1-thiol;palladium

dodecane-1-thiol;palladium (PubChem CID 174472866) has the molecular formula C12H26PdS and a molecular weight of 308.83 g/mol. Its IUPAC name is dodecane-1-thiol;palladium.

Molecular Properties

Compound Namedodecane-1-thiol;palladium
PubChem CID174472866
Molecular FormulaC12H26PdS
Molecular Weight308.83 g/mol
Exact Mass308.08
IUPAC Namedodecane-1-thiol;palladium
SMILESCCCCCCCCCCCCS.[Pd]
InChIInChI=1S/C12H26S.Pd/c1-2-3-4-5-6-7-8-9-10-11-12-13;/h13H,2-12H2,1H3;
InChIKeyJUPKGRMNORXMPQ-UHFFFAOYSA-N
XLogP4.83
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.83
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

decane-1-thiol
CID 8917
octadecane-1-thiol;octane-1-thiol
CID 158706451
decane-1-thiol;undecane-1-thiol
CID 174806736
dodecane-1-thiol
CID 8195
bis(octadecane-1-thiol);zinc
CID 87094547
bis(dodecane-1-thiol);zinc
CID 87094417
cobalt;dodecane-1-thiol
CID 158588427
CID 160700659
CID 160700659
iron;octane-1-thiol
CID 174785470
dodecane-1-thiol;methanol
CID 160961310
potassium;dodecane-1-thiol;hydride
CID 173164517
bis(pentane-1-thiol);zinc
CID 87496779

Frequently Asked Questions

What is the IUPAC name of dodecane-1-thiol;palladium?
The IUPAC name of dodecane-1-thiol;palladium (CID 174472866) is dodecane-1-thiol;palladium.
What is the SMILES notation for dodecane-1-thiol;palladium?
The canonical SMILES for dodecane-1-thiol;palladium is CCCCCCCCCCCCS.[Pd].
What is the InChIKey of dodecane-1-thiol;palladium?
The InChIKey is JUPKGRMNORXMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26S.Pd/c1-2-3-4-5-6-7-8-9-10-11-12-13;/h13H,2-12H2,1H3;.
What are the key properties of dodecane-1-thiol;palladium?
dodecane-1-thiol;palladium has a molecular weight of 308.83 g/mol, XLogP of 4.83, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dodecane-1-thiol;palladium is sourced from PubChem (CID 174472866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).