undec-1-ene-4-thiol

C11H22S — CID 102032177

IUPACundec-1-ene-4-thiol
SMILESC=CCC(S)CCCCCCC
InChIInChI=1S/C11H22S/c1-3-5-6-7-8-10-11(12)9-4-2/h4,11-12H,2-3,5-10H2,1H3
InChIKeyIBSYHYHVMVEEAL-UHFFFAOYSA-N
MW186.36 g/mol
LogP4.22
Rot. Bonds8

About undec-1-ene-4-thiol

undec-1-ene-4-thiol (PubChem CID 102032177) has the molecular formula C11H22S and a molecular weight of 186.36 g/mol. Its IUPAC name is undec-1-ene-4-thiol.

Molecular Properties

Compound Nameundec-1-ene-4-thiol
PubChem CID102032177
Molecular FormulaC11H22S
Molecular Weight186.36 g/mol
Exact Mass186.14
IUPAC Nameundec-1-ene-4-thiol
SMILESC=CCC(S)CCCCCCC
InChIInChI=1S/C11H22S/c1-3-5-6-7-8-10-11(12)9-4-2/h4,11-12H,2-3,5-10H2,1H3
InChIKeyIBSYHYHVMVEEAL-UHFFFAOYSA-N
XLogP4.22
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.36
LogP ≤ 54.22
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'}

Analyze undec-1-ene-4-thiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Undec-10-ene-1-thiol
CID 15481056
[(Z)-dec-1-enyl]-pentafluoro-lambda6-sulfane
CID 176437559
[(E)-dec-1-enyl]sulfanyl-trimethylsilane
CID 15415440
(E)-1-methylsulfanyldodec-1-ene
CID 12593926
2-Octyl-2,3-dihydrothiophene
CID 15482765
Decene mercaptan
CID 20397988
Octene Thiole
CID 20398116
Dodecenyl methyl sulfoxide
CID 54427791
Heptanthiolen
CID 57508016
(Z)-octadec-9-ene-1-thiol
CID 71309667
Octenothiol
CID 73677744
Thiocetene
CID 87108994

Frequently Asked Questions

What is the IUPAC name of undec-1-ene-4-thiol?
The IUPAC name of undec-1-ene-4-thiol (CID 102032177) is undec-1-ene-4-thiol.
What is the SMILES notation for undec-1-ene-4-thiol?
The canonical SMILES for undec-1-ene-4-thiol is C=CCC(S)CCCCCCC.
What is the InChIKey of undec-1-ene-4-thiol?
The InChIKey is IBSYHYHVMVEEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22S/c1-3-5-6-7-8-10-11(12)9-4-2/h4,11-12H,2-3,5-10H2,1H3.
What are the key properties of undec-1-ene-4-thiol?
undec-1-ene-4-thiol has a molecular weight of 186.36 g/mol, XLogP of 4.22, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for undec-1-ene-4-thiol is sourced from PubChem (CID 102032177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).