cyclopent-2-en-1-ylthiourea

C6H10N2S — CID 55291589

IUPACcyclopent-2-en-1-ylthiourea
SMILESNC(=S)NC1C=CCC1
InChIInChI=1S/C6H10N2S/c7-6(9)8-5-3-1-2-4-5/h1,3,5H,2,4H2,(H3,7,8,9)
InChIKeyODVRSYIUAFPQJS-UHFFFAOYSA-N
MW142.23 g/mol
LogP0.54
Rot. Bonds1

About cyclopent-2-en-1-ylthiourea

cyclopent-2-en-1-ylthiourea (PubChem CID 55291589) has the molecular formula C6H10N2S and a molecular weight of 142.23 g/mol. Its IUPAC name is cyclopent-2-en-1-ylthiourea.

Molecular Properties

Compound Namecyclopent-2-en-1-ylthiourea
PubChem CID55291589
Molecular FormulaC6H10N2S
Molecular Weight142.23 g/mol
Exact Mass142.06
IUPAC Namecyclopent-2-en-1-ylthiourea
SMILESNC(=S)NC1C=CCC1
InChIInChI=1S/C6H10N2S/c7-6(9)8-5-3-1-2-4-5/h1,3,5H,2,4H2,(H3,7,8,9)
InChIKeyODVRSYIUAFPQJS-UHFFFAOYSA-N
XLogP0.54
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.23
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze cyclopent-2-en-1-ylthiourea 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 cyclopent-2-en-1-ylthiourea?
The IUPAC name of cyclopent-2-en-1-ylthiourea (CID 55291589) is cyclopent-2-en-1-ylthiourea.
What is the SMILES notation for cyclopent-2-en-1-ylthiourea?
The canonical SMILES for cyclopent-2-en-1-ylthiourea is NC(=S)NC1C=CCC1.
What is the InChIKey of cyclopent-2-en-1-ylthiourea?
The InChIKey is ODVRSYIUAFPQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2S/c7-6(9)8-5-3-1-2-4-5/h1,3,5H,2,4H2,(H3,7,8,9).
What are the key properties of cyclopent-2-en-1-ylthiourea?
cyclopent-2-en-1-ylthiourea has a molecular weight of 142.23 g/mol, XLogP of 0.54, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopent-2-en-1-ylthiourea is sourced from PubChem (CID 55291589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).