(Z)-3-ethyloct-3-ene-1-thiol

C10H20S — CID 23317540

IUPAC(Z)-3-ethyloct-3-ene-1-thiol
SMILESCCCC/C=C(/CC)CCS
InChIInChI=1S/C10H20S/c1-3-5-6-7-10(4-2)8-9-11/h7,11H,3-6,8-9H2,1-2H3/b10-7-
InChIKeyKBQRSNAWXKYDGT-YFHOEESVSA-N
MW172.34 g/mol
LogP3.83
Rot. Bonds6

About (Z)-3-ethyloct-3-ene-1-thiol

(Z)-3-ethyloct-3-ene-1-thiol (PubChem CID 23317540) has the molecular formula C10H20S and a molecular weight of 172.34 g/mol. Its IUPAC name is (Z)-3-ethyloct-3-ene-1-thiol.

Molecular Properties

Compound Name(Z)-3-ethyloct-3-ene-1-thiol
PubChem CID23317540
Molecular FormulaC10H20S
Molecular Weight172.34 g/mol
Exact Mass172.13
IUPAC Name(Z)-3-ethyloct-3-ene-1-thiol
SMILESCCCC/C=C(/CC)CCS
InChIInChI=1S/C10H20S/c1-3-5-6-7-10(4-2)8-9-11/h7,11H,3-6,8-9H2,1-2H3/b10-7-
InChIKeyKBQRSNAWXKYDGT-YFHOEESVSA-N
XLogP3.83
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 ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-ethyloct-3-ene-1-thiol?
The IUPAC name of (Z)-3-ethyloct-3-ene-1-thiol (CID 23317540) is (Z)-3-ethyloct-3-ene-1-thiol.
What is the SMILES notation for (Z)-3-ethyloct-3-ene-1-thiol?
The canonical SMILES for (Z)-3-ethyloct-3-ene-1-thiol is CCCC/C=C(/CC)CCS.
What is the InChIKey of (Z)-3-ethyloct-3-ene-1-thiol?
The InChIKey is KBQRSNAWXKYDGT-YFHOEESVSA-N. The full InChI is InChI=1S/C10H20S/c1-3-5-6-7-10(4-2)8-9-11/h7,11H,3-6,8-9H2,1-2H3/b10-7-.
What are the key properties of (Z)-3-ethyloct-3-ene-1-thiol?
(Z)-3-ethyloct-3-ene-1-thiol has a molecular weight of 172.34 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-ethyloct-3-ene-1-thiol is sourced from PubChem (CID 23317540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).