1-cyclohexyl-3-phenylthiourea

C13H18N2S — CID 766306

IUPAC1-cyclohexyl-3-phenylthiourea
SMILESS=C(Nc1ccccc1)NC1CCCCC1
InChIInChI=1S/C13H18N2S/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2,(H2,14,15,16)
InChIKeyPASBFQMDQRGJBH-UHFFFAOYSA-N
MW234.37 g/mol
LogP3.31
Rot. Bonds2

About 1-cyclohexyl-3-phenylthiourea

1-cyclohexyl-3-phenylthiourea (PubChem CID 766306) has the molecular formula C13H18N2S and a molecular weight of 234.37 g/mol. Its IUPAC name is 1-cyclohexyl-3-phenylthiourea.

Molecular Properties

Compound Name1-cyclohexyl-3-phenylthiourea
PubChem CID766306
Molecular FormulaC13H18N2S
Molecular Weight234.37 g/mol
Exact Mass234.12
IUPAC Name1-cyclohexyl-3-phenylthiourea
SMILESS=C(Nc1ccccc1)NC1CCCCC1
InChIInChI=1S/C13H18N2S/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2,(H2,14,15,16)
InChIKeyPASBFQMDQRGJBH-UHFFFAOYSA-N
XLogP3.31
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.37
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-cyclohexyl-3-phenylthiourea 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 1-cyclohexyl-3-phenylthiourea?
The IUPAC name of 1-cyclohexyl-3-phenylthiourea (CID 766306) is 1-cyclohexyl-3-phenylthiourea.
What is the SMILES notation for 1-cyclohexyl-3-phenylthiourea?
The canonical SMILES for 1-cyclohexyl-3-phenylthiourea is S=C(Nc1ccccc1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-phenylthiourea?
The InChIKey is PASBFQMDQRGJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2S/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2,(H2,14,15,16).
What are the key properties of 1-cyclohexyl-3-phenylthiourea?
1-cyclohexyl-3-phenylthiourea has a molecular weight of 234.37 g/mol, XLogP of 3.31, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-phenylthiourea is sourced from PubChem (CID 766306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).