bis(pentane-1-thiol);zinc

C10H24S2Zn — CID 87496779

IUPACbis(pentane-1-thiol);zinc
SMILESCCCCCS.CCCCCS.[Zn]
InChIInChI=1S/2C5H12S.Zn/c2*1-2-3-4-5-6;/h2*6H,2-5H2,1H3;
InChIKeySHQUBFMDLMRRJO-UHFFFAOYSA-N
MW273.83 g/mol
LogP4.21
Rot. Bonds6

About bis(pentane-1-thiol);zinc

bis(pentane-1-thiol);zinc (PubChem CID 87496779) has the molecular formula C10H24S2Zn and a molecular weight of 273.83 g/mol. Its IUPAC name is bis(pentane-1-thiol);zinc.

Molecular Properties

Compound Namebis(pentane-1-thiol);zinc
PubChem CID87496779
Molecular FormulaC10H24S2Zn
Molecular Weight273.83 g/mol
Exact Mass272.06
IUPAC Namebis(pentane-1-thiol);zinc
SMILESCCCCCS.CCCCCS.[Zn]
InChIInChI=1S/2C5H12S.Zn/c2*1-2-3-4-5-6;/h2*6H,2-5H2,1H3;
InChIKeySHQUBFMDLMRRJO-UHFFFAOYSA-N
XLogP4.21
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.83
LogP ≤ 54.21
H-Bond Donors ≤ 52
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_2', 'substructure': 'N/A'}

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Related Compounds

bis(octadecane-1-thiol);zinc
CID 87094547
bis(dodecane-1-thiol);zinc
CID 87094417
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
cobalt;dodecane-1-thiol
CID 158588427
iron;octane-1-thiol
CID 174785470
CID 160700659
CID 160700659
dodecane-1-thiol;methanol
CID 160961310
potassium;dodecane-1-thiol;hydride
CID 173164517

Frequently Asked Questions

What is the IUPAC name of bis(pentane-1-thiol);zinc?
The IUPAC name of bis(pentane-1-thiol);zinc (CID 87496779) is bis(pentane-1-thiol);zinc.
What is the SMILES notation for bis(pentane-1-thiol);zinc?
The canonical SMILES for bis(pentane-1-thiol);zinc is CCCCCS.CCCCCS.[Zn].
What is the InChIKey of bis(pentane-1-thiol);zinc?
The InChIKey is SHQUBFMDLMRRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H12S.Zn/c2*1-2-3-4-5-6;/h2*6H,2-5H2,1H3;.
What are the key properties of bis(pentane-1-thiol);zinc?
bis(pentane-1-thiol);zinc has a molecular weight of 273.83 g/mol, XLogP of 4.21, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(pentane-1-thiol);zinc is sourced from PubChem (CID 87496779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).