(2Z,4E)-5-aminopenta-2,4-diene-2-thiol

C5H9NS — CID 89363639

IUPAC(2Z,4E)-5-aminopenta-2,4-diene-2-thiol
SMILESC/C(S)=C/C=C/N
InChIInChI=1S/C5H9NS/c1-5(7)3-2-4-6/h2-4,7H,6H2,1H3/b4-2+,5-3-
InChIKeyVJGSQNRXOQEOMP-HZDAAVBUSA-N
MW115.20 g/mol
LogP1.29
Rot. Bonds1

About (2Z,4E)-5-aminopenta-2,4-diene-2-thiol

(2Z,4E)-5-aminopenta-2,4-diene-2-thiol (PubChem CID 89363639) has the molecular formula C5H9NS and a molecular weight of 115.20 g/mol. Its IUPAC name is (2Z,4E)-5-aminopenta-2,4-diene-2-thiol.

Molecular Properties

Compound Name(2Z,4E)-5-aminopenta-2,4-diene-2-thiol
PubChem CID89363639
Molecular FormulaC5H9NS
Molecular Weight115.20 g/mol
Exact Mass115.05
IUPAC Name(2Z,4E)-5-aminopenta-2,4-diene-2-thiol
SMILESC/C(S)=C/C=C/N
InChIInChI=1S/C5H9NS/c1-5(7)3-2-4-6/h2-4,7H,6H2,1H3/b4-2+,5-3-
InChIKeyVJGSQNRXOQEOMP-HZDAAVBUSA-N
XLogP1.29
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.20
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2Z,4E)-5-aminopenta-2,4-diene-2-thiol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-5-aminopenta-2,4-diene-2-thiol?
The IUPAC name of (2Z,4E)-5-aminopenta-2,4-diene-2-thiol (CID 89363639) is (2Z,4E)-5-aminopenta-2,4-diene-2-thiol.
What is the SMILES notation for (2Z,4E)-5-aminopenta-2,4-diene-2-thiol?
The canonical SMILES for (2Z,4E)-5-aminopenta-2,4-diene-2-thiol is C/C(S)=C/C=C/N.
What is the InChIKey of (2Z,4E)-5-aminopenta-2,4-diene-2-thiol?
The InChIKey is VJGSQNRXOQEOMP-HZDAAVBUSA-N. The full InChI is InChI=1S/C5H9NS/c1-5(7)3-2-4-6/h2-4,7H,6H2,1H3/b4-2+,5-3-.
What are the key properties of (2Z,4E)-5-aminopenta-2,4-diene-2-thiol?
(2Z,4E)-5-aminopenta-2,4-diene-2-thiol has a molecular weight of 115.20 g/mol, XLogP of 1.29, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-5-aminopenta-2,4-diene-2-thiol is sourced from PubChem (CID 89363639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).