2-(cyclohexen-1-yl)ethylthiourea

C9H16N2S — CID 54415384

IUPAC2-(cyclohexen-1-yl)ethylthiourea
SMILESNC(=S)NCCC1=CCCCC1
InChIInChI=1S/C9H16N2S/c10-9(12)11-7-6-8-4-2-1-3-5-8/h4H,1-3,5-7H2,(H3,10,11,12)
InChIKeyVXAYVSIPZSFQAM-UHFFFAOYSA-N
MW184.31 g/mol
LogP1.71
Rot. Bonds3

About 2-(cyclohexen-1-yl)ethylthiourea

2-(cyclohexen-1-yl)ethylthiourea (PubChem CID 54415384) has the molecular formula C9H16N2S and a molecular weight of 184.31 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)ethylthiourea.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)ethylthiourea
PubChem CID54415384
Molecular FormulaC9H16N2S
Molecular Weight184.31 g/mol
Exact Mass184.10
IUPAC Name2-(cyclohexen-1-yl)ethylthiourea
SMILESNC(=S)NCCC1=CCCCC1
InChIInChI=1S/C9H16N2S/c10-9(12)11-7-6-8-4-2-1-3-5-8/h4H,1-3,5-7H2,(H3,10,11,12)
InChIKeyVXAYVSIPZSFQAM-UHFFFAOYSA-N
XLogP1.71
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 51.71
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 2-(cyclohexen-1-yl)ethylthiourea 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 2-(cyclohexen-1-yl)ethylthiourea?
The IUPAC name of 2-(cyclohexen-1-yl)ethylthiourea (CID 54415384) is 2-(cyclohexen-1-yl)ethylthiourea.
What is the SMILES notation for 2-(cyclohexen-1-yl)ethylthiourea?
The canonical SMILES for 2-(cyclohexen-1-yl)ethylthiourea is NC(=S)NCCC1=CCCCC1.
What is the InChIKey of 2-(cyclohexen-1-yl)ethylthiourea?
The InChIKey is VXAYVSIPZSFQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2S/c10-9(12)11-7-6-8-4-2-1-3-5-8/h4H,1-3,5-7H2,(H3,10,11,12).
What are the key properties of 2-(cyclohexen-1-yl)ethylthiourea?
2-(cyclohexen-1-yl)ethylthiourea has a molecular weight of 184.31 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)ethylthiourea is sourced from PubChem (CID 54415384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).