3-diazenylpent-3-ene-1-thiol

C5H10N2S — CID 123454501

IUPAC3-diazenylpent-3-ene-1-thiol
SMILES[H]/N=N/C(=CC)CCS
InChIInChI=1S/C5H10N2S/c1-2-5(7-6)3-4-8/h2,6,8H,3-4H2,1H3/b5-2?,7-6+
InChIKeyUVQOJIPBZSOWOF-BWBQFCITSA-N
MW130.22 g/mol
LogP2.24
Rot. Bonds3

About 3-diazenylpent-3-ene-1-thiol

3-diazenylpent-3-ene-1-thiol (PubChem CID 123454501) has the molecular formula C5H10N2S and a molecular weight of 130.22 g/mol. Its IUPAC name is 3-diazenylpent-3-ene-1-thiol.

Molecular Properties

Compound Name3-diazenylpent-3-ene-1-thiol
PubChem CID123454501
Molecular FormulaC5H10N2S
Molecular Weight130.22 g/mol
Exact Mass130.06
IUPAC Name3-diazenylpent-3-ene-1-thiol
SMILES[H]/N=N/C(=CC)CCS
InChIInChI=1S/C5H10N2S/c1-2-5(7-6)3-4-8/h2,6,8H,3-4H2,1H3/b5-2?,7-6+
InChIKeyUVQOJIPBZSOWOF-BWBQFCITSA-N
XLogP2.24
TPSA36.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.22
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 3-diazenylpent-3-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

3-Methyl-5,6-dihydrothiazin-2-amine
CID 54290326
[(3Z,5E)-6-methylsulfanylhexa-3,5-dien-3-yl]diazene
CID 143938998

Frequently Asked Questions

What is the IUPAC name of 3-diazenylpent-3-ene-1-thiol?
The IUPAC name of 3-diazenylpent-3-ene-1-thiol (CID 123454501) is 3-diazenylpent-3-ene-1-thiol.
What is the SMILES notation for 3-diazenylpent-3-ene-1-thiol?
The canonical SMILES for 3-diazenylpent-3-ene-1-thiol is [H]/N=N/C(=CC)CCS.
What is the InChIKey of 3-diazenylpent-3-ene-1-thiol?
The InChIKey is UVQOJIPBZSOWOF-BWBQFCITSA-N. The full InChI is InChI=1S/C5H10N2S/c1-2-5(7-6)3-4-8/h2,6,8H,3-4H2,1H3/b5-2?,7-6+.
What are the key properties of 3-diazenylpent-3-ene-1-thiol?
3-diazenylpent-3-ene-1-thiol has a molecular weight of 130.22 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diazenylpent-3-ene-1-thiol is sourced from PubChem (CID 123454501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).