(Z)-octadec-9-ene-1-thiol

C18H36S — CID 71309667

IUPAC(Z)-octadec-9-ene-1-thiol
SMILESCCCCCCCC/C=C\CCCCCCCCS
InChIInChI=1S/C18H36S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h9-10,19H,2-8,11-18H2,1H3/b10-9-
InChIKeyLJLJPBMSWIYGOA-KTKRTIGZSA-N
MW284.55 g/mol
LogP6.95
Rot. Bonds15

About (Z)-octadec-9-ene-1-thiol

(Z)-octadec-9-ene-1-thiol (PubChem CID 71309667) has the molecular formula C18H36S and a molecular weight of 284.55 g/mol. Its IUPAC name is (Z)-octadec-9-ene-1-thiol.

Molecular Properties

Compound Name(Z)-octadec-9-ene-1-thiol
PubChem CID71309667
Molecular FormulaC18H36S
Molecular Weight284.55 g/mol
Exact Mass284.25
IUPAC Name(Z)-octadec-9-ene-1-thiol
SMILESCCCCCCCC/C=C\CCCCCCCCS
InChIInChI=1S/C18H36S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h9-10,19H,2-8,11-18H2,1H3/b10-9-
InChIKeyLJLJPBMSWIYGOA-KTKRTIGZSA-N
XLogP6.95
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.55
LogP ≤ 56.95
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)-octadec-9-ene-1-thiol?
The IUPAC name of (Z)-octadec-9-ene-1-thiol (CID 71309667) is (Z)-octadec-9-ene-1-thiol.
What is the SMILES notation for (Z)-octadec-9-ene-1-thiol?
The canonical SMILES for (Z)-octadec-9-ene-1-thiol is CCCCCCCC/C=C\CCCCCCCCS.
What is the InChIKey of (Z)-octadec-9-ene-1-thiol?
The InChIKey is LJLJPBMSWIYGOA-KTKRTIGZSA-N. The full InChI is InChI=1S/C18H36S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h9-10,19H,2-8,11-18H2,1H3/b10-9-.
What are the key properties of (Z)-octadec-9-ene-1-thiol?
(Z)-octadec-9-ene-1-thiol has a molecular weight of 284.55 g/mol, XLogP of 6.95, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-octadec-9-ene-1-thiol is sourced from PubChem (CID 71309667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).