cobalt;dodecane-1-thiol

C12H26CoS — CID 158588427

IUPACcobalt;dodecane-1-thiol
SMILESCCCCCCCCCCCCS.[Co]
InChIInChI=1S/C12H26S.Co/c1-2-3-4-5-6-7-8-9-10-11-12-13;/h13H,2-12H2,1H3;
InChIKeyHUCYJEKGTZCPOM-UHFFFAOYSA-N
MW261.34 g/mol
LogP4.83
Rot. Bonds10

About cobalt;dodecane-1-thiol

cobalt;dodecane-1-thiol (PubChem CID 158588427) has the molecular formula C12H26CoS and a molecular weight of 261.34 g/mol. Its IUPAC name is cobalt;dodecane-1-thiol.

Molecular Properties

Compound Namecobalt;dodecane-1-thiol
PubChem CID158588427
Molecular FormulaC12H26CoS
Molecular Weight261.34 g/mol
Exact Mass261.11
IUPAC Namecobalt;dodecane-1-thiol
SMILESCCCCCCCCCCCCS.[Co]
InChIInChI=1S/C12H26S.Co/c1-2-3-4-5-6-7-8-9-10-11-12-13;/h13H,2-12H2,1H3;
InChIKeyHUCYJEKGTZCPOM-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 ≤ 500261.34
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
dodecane-1-thiol;palladium
CID 174472866
bis(octadecane-1-thiol);zinc
CID 87094547
bis(dodecane-1-thiol);zinc
CID 87094417
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 cobalt;dodecane-1-thiol?
The IUPAC name of cobalt;dodecane-1-thiol (CID 158588427) is cobalt;dodecane-1-thiol.
What is the SMILES notation for cobalt;dodecane-1-thiol?
The canonical SMILES for cobalt;dodecane-1-thiol is CCCCCCCCCCCCS.[Co].
What is the InChIKey of cobalt;dodecane-1-thiol?
The InChIKey is HUCYJEKGTZCPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26S.Co/c1-2-3-4-5-6-7-8-9-10-11-12-13;/h13H,2-12H2,1H3;.
What are the key properties of cobalt;dodecane-1-thiol?
cobalt;dodecane-1-thiol has a molecular weight of 261.34 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 cobalt;dodecane-1-thiol is sourced from PubChem (CID 158588427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).