decane-1-thiol;undecane-1-thiol

C21H46S2 — CID 174806736

IUPACdecane-1-thiol;undecane-1-thiol
SMILESCCCCCCCCCCCS.CCCCCCCCCCS
InChIInChI=1S/C11H24S.C10H22S/c1-2-3-4-5-6-7-8-9-10-11-12;1-2-3-4-5-6-7-8-9-10-11/h12H,2-11H2,1H3;11H,2-10H2,1H3
InChIKeySAOQWUKHOGFJFU-UHFFFAOYSA-N
MW362.73 g/mol
LogP8.50
Rot. Bonds17

About decane-1-thiol;undecane-1-thiol

decane-1-thiol;undecane-1-thiol (PubChem CID 174806736) has the molecular formula C21H46S2 and a molecular weight of 362.73 g/mol. Its IUPAC name is decane-1-thiol;undecane-1-thiol.

Molecular Properties

Compound Namedecane-1-thiol;undecane-1-thiol
PubChem CID174806736
Molecular FormulaC21H46S2
Molecular Weight362.73 g/mol
Exact Mass362.30
IUPAC Namedecane-1-thiol;undecane-1-thiol
SMILESCCCCCCCCCCCS.CCCCCCCCCCS
InChIInChI=1S/C11H24S.C10H22S/c1-2-3-4-5-6-7-8-9-10-11-12;1-2-3-4-5-6-7-8-9-10-11/h12H,2-11H2,1H3;11H,2-10H2,1H3
InChIKeySAOQWUKHOGFJFU-UHFFFAOYSA-N
XLogP8.50
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.73
LogP ≤ 58.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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
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
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 decane-1-thiol;undecane-1-thiol?
The IUPAC name of decane-1-thiol;undecane-1-thiol (CID 174806736) is decane-1-thiol;undecane-1-thiol.
What is the SMILES notation for decane-1-thiol;undecane-1-thiol?
The canonical SMILES for decane-1-thiol;undecane-1-thiol is CCCCCCCCCCCS.CCCCCCCCCCS.
What is the InChIKey of decane-1-thiol;undecane-1-thiol?
The InChIKey is SAOQWUKHOGFJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24S.C10H22S/c1-2-3-4-5-6-7-8-9-10-11-12;1-2-3-4-5-6-7-8-9-10-11/h12H,2-11H2,1H3;11H,2-10H2,1H3.
What are the key properties of decane-1-thiol;undecane-1-thiol?
decane-1-thiol;undecane-1-thiol has a molecular weight of 362.73 g/mol, XLogP of 8.50, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for decane-1-thiol;undecane-1-thiol is sourced from PubChem (CID 174806736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).