(Z)-5-aminopent-3-ene-1-thiol

C5H11NS — CID 89159279

IUPAC(Z)-5-aminopent-3-ene-1-thiol
SMILESNC/C=C\CCS
InChIInChI=1S/C5H11NS/c6-4-2-1-3-5-7/h1-2,7H,3-6H2/b2-1-
InChIKeyUCIMGTPEQZCMMG-UPHRSURJSA-N
MW117.22 g/mol
LogP0.82
Rot. Bonds3

About (Z)-5-aminopent-3-ene-1-thiol

(Z)-5-aminopent-3-ene-1-thiol (PubChem CID 89159279) has the molecular formula C5H11NS and a molecular weight of 117.22 g/mol. Its IUPAC name is (Z)-5-aminopent-3-ene-1-thiol.

Molecular Properties

Compound Name(Z)-5-aminopent-3-ene-1-thiol
PubChem CID89159279
Molecular FormulaC5H11NS
Molecular Weight117.22 g/mol
Exact Mass117.06
IUPAC Name(Z)-5-aminopent-3-ene-1-thiol
SMILESNC/C=C\CCS
InChIInChI=1S/C5H11NS/c6-4-2-1-3-5-7/h1-2,7H,3-6H2/b2-1-
InChIKeyUCIMGTPEQZCMMG-UPHRSURJSA-N
XLogP0.82
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.22
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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)-5-aminopent-3-ene-1-thiol?
The IUPAC name of (Z)-5-aminopent-3-ene-1-thiol (CID 89159279) is (Z)-5-aminopent-3-ene-1-thiol.
What is the SMILES notation for (Z)-5-aminopent-3-ene-1-thiol?
The canonical SMILES for (Z)-5-aminopent-3-ene-1-thiol is NC/C=C\CCS.
What is the InChIKey of (Z)-5-aminopent-3-ene-1-thiol?
The InChIKey is UCIMGTPEQZCMMG-UPHRSURJSA-N. The full InChI is InChI=1S/C5H11NS/c6-4-2-1-3-5-7/h1-2,7H,3-6H2/b2-1-.
What are the key properties of (Z)-5-aminopent-3-ene-1-thiol?
(Z)-5-aminopent-3-ene-1-thiol has a molecular weight of 117.22 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-aminopent-3-ene-1-thiol is sourced from PubChem (CID 89159279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).