4-ethyloct-1-ene-1-thiol

C10H20S — CID 140759657

IUPAC4-ethyloct-1-ene-1-thiol
SMILESCCCCC(CC)CC=CS
InChIInChI=1S/C10H20S/c1-3-5-7-10(4-2)8-6-9-11/h6,9-11H,3-5,7-8H2,1-2H3
InChIKeyGPUZGLKEUVNOQD-UHFFFAOYSA-N
MW172.34 g/mol
LogP4.04
Rot. Bonds6

About 4-ethyloct-1-ene-1-thiol

4-ethyloct-1-ene-1-thiol (PubChem CID 140759657) has the molecular formula C10H20S and a molecular weight of 172.34 g/mol. Its IUPAC name is 4-ethyloct-1-ene-1-thiol.

Molecular Properties

Compound Name4-ethyloct-1-ene-1-thiol
PubChem CID140759657
Molecular FormulaC10H20S
Molecular Weight172.34 g/mol
Exact Mass172.13
IUPAC Name4-ethyloct-1-ene-1-thiol
SMILESCCCCC(CC)CC=CS
InChIInChI=1S/C10H20S/c1-3-5-7-10(4-2)8-6-9-11/h6,9-11H,3-5,7-8H2,1-2H3
InChIKeyGPUZGLKEUVNOQD-UHFFFAOYSA-N
XLogP4.04
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.34
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Allylcyclopentane-1-thiol
CID 12575093
Octene Thiole
CID 20398116
Octenothiol
CID 73677744
[(E)-2-methylsulfanylethenyl]cyclohexane
CID 134986023
(3R,4S,6S)-7-fluoro-3,6-dimethylhept-1-ene-4-thiol
CID 89110210
6-Fluoro-4-methylocta-1,7-diene-3,5-dithiol
CID 137429114
(2R)-1-fluoro-2,3-dimethylhept-6-ene-1-thiol
CID 163638496
(3S,4R,5R,6S)-3-ethenyl-7,7,7-trifluoro-4,5,6-trimethylheptane-2-thiol
CID 173792645
3,11-Dimethyl-7-methylidenedodecane-1-thiol
CID 171109147
2-Allylcyclohexanethiol
CID 12396254
2-(alpha-Methyl-beta-propenyl)-1-cyclohexanethiol
CID 12396262
2-Butyl-4-pentenethiol
CID 129783071

Frequently Asked Questions

What is the IUPAC name of 4-ethyloct-1-ene-1-thiol?
The IUPAC name of 4-ethyloct-1-ene-1-thiol (CID 140759657) is 4-ethyloct-1-ene-1-thiol.
What is the SMILES notation for 4-ethyloct-1-ene-1-thiol?
The canonical SMILES for 4-ethyloct-1-ene-1-thiol is CCCCC(CC)CC=CS.
What is the InChIKey of 4-ethyloct-1-ene-1-thiol?
The InChIKey is GPUZGLKEUVNOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20S/c1-3-5-7-10(4-2)8-6-9-11/h6,9-11H,3-5,7-8H2,1-2H3.
What are the key properties of 4-ethyloct-1-ene-1-thiol?
4-ethyloct-1-ene-1-thiol has a molecular weight of 172.34 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyloct-1-ene-1-thiol is sourced from PubChem (CID 140759657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).