(E)-dec-4-ene-1-thiol

C10H20S — CID 101395043

IUPAC(E)-dec-4-ene-1-thiol
SMILESCCCCC/C=C/CCCS
InChIInChI=1S/C10H20S/c1-2-3-4-5-6-7-8-9-10-11/h6-7,11H,2-5,8-10H2,1H3/b7-6+
InChIKeyQXNAAUYOQOFEQO-VOTSOKGWSA-N
MW172.34 g/mol
LogP3.83
Rot. Bonds7

About (E)-dec-4-ene-1-thiol

(E)-dec-4-ene-1-thiol (PubChem CID 101395043) has the molecular formula C10H20S and a molecular weight of 172.34 g/mol. Its IUPAC name is (E)-dec-4-ene-1-thiol.

Molecular Properties

Compound Name(E)-dec-4-ene-1-thiol
PubChem CID101395043
Molecular FormulaC10H20S
Molecular Weight172.34 g/mol
Exact Mass172.13
IUPAC Name(E)-dec-4-ene-1-thiol
SMILESCCCCC/C=C/CCCS
InChIInChI=1S/C10H20S/c1-2-3-4-5-6-7-8-9-10-11/h6-7,11H,2-5,8-10H2,1H3/b7-6+
InChIKeyQXNAAUYOQOFEQO-VOTSOKGWSA-N
XLogP3.83
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
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'}

Analyze (E)-dec-4-ene-1-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

hexadec-11-ene-1-thiol
CID 54519203
oct-4-ene-1-thiol
CID 90865810
heptadeca-8,11-diene-1-thiol
CID 76749812
(Z)-docos-9-ene
CID 11690102
(6E,10Z,14E)-icosa-6,10,14-triene
CID 53230462
nonacos-7-ene
CID 71381021
(Z)-triacont-9-ene
CID 57484178
hexacont-21-ene
CID 54293076
pentacos-9-ene
CID 25201650
(Z)-heptadec-8-ene
CID 5352243
(E)-hexadec-6-ene
CID 5352260
(E)-hexacos-10-ene
CID 22172169

Frequently Asked Questions

What is the IUPAC name of (E)-dec-4-ene-1-thiol?
The IUPAC name of (E)-dec-4-ene-1-thiol (CID 101395043) is (E)-dec-4-ene-1-thiol.
What is the SMILES notation for (E)-dec-4-ene-1-thiol?
The canonical SMILES for (E)-dec-4-ene-1-thiol is CCCCC/C=C/CCCS.
What is the InChIKey of (E)-dec-4-ene-1-thiol?
The InChIKey is QXNAAUYOQOFEQO-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H20S/c1-2-3-4-5-6-7-8-9-10-11/h6-7,11H,2-5,8-10H2,1H3/b7-6+.
What are the key properties of (E)-dec-4-ene-1-thiol?
(E)-dec-4-ene-1-thiol has a molecular weight of 172.34 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-dec-4-ene-1-thiol is sourced from PubChem (CID 101395043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).