decane-1-thiol

C10H22S — CID 8917

IUPACdecane-1-thiol
SMILESCCCCCCCCCCS
InChIInChI=1S/C10H22S/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3
InChIKeyVTXVGVNLYGSIAR-UHFFFAOYSA-N
MW174.35 g/mol
LogP4.06
Rot. Bonds8

About decane-1-thiol

decane-1-thiol (PubChem CID 8917) has the molecular formula C10H22S and a molecular weight of 174.35 g/mol. Its IUPAC name is decane-1-thiol.

Molecular Properties

Compound Namedecane-1-thiol
PubChem CID8917
Molecular FormulaC10H22S
Molecular Weight174.35 g/mol
Exact Mass174.14
IUPAC Namedecane-1-thiol
SMILESCCCCCCCCCCS
InChIInChI=1S/C10H22S/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3
InChIKeyVTXVGVNLYGSIAR-UHFFFAOYSA-N
XLogP4.06
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.35
LogP ≤ 54.06
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

octadecane-1-thiol;octane-1-thiol
CID 158706451
decane-1-thiol;undecane-1-thiol
CID 174806736
dodecane-1-thiol
CID 8195
cobalt;dodecane-1-thiol
CID 158588427
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 decane-1-thiol?
The IUPAC name of decane-1-thiol (CID 8917) is decane-1-thiol.
What is the SMILES notation for decane-1-thiol?
The canonical SMILES for decane-1-thiol is CCCCCCCCCCS.
What is the InChIKey of decane-1-thiol?
The InChIKey is VTXVGVNLYGSIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22S/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3.
What are the key properties of decane-1-thiol?
decane-1-thiol has a molecular weight of 174.35 g/mol, XLogP of 4.06, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for decane-1-thiol is sourced from PubChem (CID 8917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).