1-cyclohexyl-3-propylthiourea

C10H20N2S — CID 13084945

IUPAC1-cyclohexyl-3-propylthiourea
SMILESCCCNC(=S)NC1CCCCC1
InChIInChI=1S/C10H20N2S/c1-2-8-11-10(13)12-9-6-4-3-5-7-9/h9H,2-8H2,1H3,(H2,11,12,13)
InChIKeyLVMOFXPDSLTZHU-UHFFFAOYSA-N
MW200.35 g/mol
LogP2.19
Rot. Bonds3

About 1-cyclohexyl-3-propylthiourea

1-cyclohexyl-3-propylthiourea (PubChem CID 13084945) has the molecular formula C10H20N2S and a molecular weight of 200.35 g/mol. Its IUPAC name is 1-cyclohexyl-3-propylthiourea.

Molecular Properties

Compound Name1-cyclohexyl-3-propylthiourea
PubChem CID13084945
Molecular FormulaC10H20N2S
Molecular Weight200.35 g/mol
Exact Mass200.13
IUPAC Name1-cyclohexyl-3-propylthiourea
SMILESCCCNC(=S)NC1CCCCC1
InChIInChI=1S/C10H20N2S/c1-2-8-11-10(13)12-9-6-4-3-5-7-9/h9H,2-8H2,1H3,(H2,11,12,13)
InChIKeyLVMOFXPDSLTZHU-UHFFFAOYSA-N
XLogP2.19
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-cyclohexyl-3-propylthiourea 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-propylthiourea?
The IUPAC name of 1-cyclohexyl-3-propylthiourea (CID 13084945) is 1-cyclohexyl-3-propylthiourea.
What is the SMILES notation for 1-cyclohexyl-3-propylthiourea?
The canonical SMILES for 1-cyclohexyl-3-propylthiourea is CCCNC(=S)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-propylthiourea?
The InChIKey is LVMOFXPDSLTZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2S/c1-2-8-11-10(13)12-9-6-4-3-5-7-9/h9H,2-8H2,1H3,(H2,11,12,13).
What are the key properties of 1-cyclohexyl-3-propylthiourea?
1-cyclohexyl-3-propylthiourea has a molecular weight of 200.35 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-propylthiourea is sourced from PubChem (CID 13084945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).