1-cyclohexyl-3-(2-propan-2-ylphenyl)thiourea

C16H24N2S — CID 4076591

IUPAC1-cyclohexyl-3-(2-propan-2-ylphenyl)thiourea
SMILESCC(C)c1ccccc1NC(=S)NC1CCCCC1
InChIInChI=1S/C16H24N2S/c1-12(2)14-10-6-7-11-15(14)18-16(19)17-13-8-4-3-5-9-13/h6-7,10-13H,3-5,8-9H2,1-2H3,(H2,17,18,19)
InChIKeyBTKPJTKPADJEGS-UHFFFAOYSA-N
MW276.45 g/mol
LogP4.43
Rot. Bonds3

About 1-cyclohexyl-3-(2-propan-2-ylphenyl)thiourea

1-cyclohexyl-3-(2-propan-2-ylphenyl)thiourea (PubChem CID 4076591) has the molecular formula C16H24N2S and a molecular weight of 276.45 g/mol. Its IUPAC name is 1-cyclohexyl-3-(2-propan-2-ylphenyl)thiourea.

Molecular Properties

Compound Name1-cyclohexyl-3-(2-propan-2-ylphenyl)thiourea
PubChem CID4076591
Molecular FormulaC16H24N2S
Molecular Weight276.45 g/mol
Exact Mass276.17
IUPAC Name1-cyclohexyl-3-(2-propan-2-ylphenyl)thiourea
SMILESCC(C)c1ccccc1NC(=S)NC1CCCCC1
InChIInChI=1S/C16H24N2S/c1-12(2)14-10-6-7-11-15(14)18-16(19)17-13-8-4-3-5-9-13/h6-7,10-13H,3-5,8-9H2,1-2H3,(H2,17,18,19)
InChIKeyBTKPJTKPADJEGS-UHFFFAOYSA-N
XLogP4.43
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(2-propan-2-ylphenyl)thiourea?
The IUPAC name of 1-cyclohexyl-3-(2-propan-2-ylphenyl)thiourea (CID 4076591) is 1-cyclohexyl-3-(2-propan-2-ylphenyl)thiourea.
What is the SMILES notation for 1-cyclohexyl-3-(2-propan-2-ylphenyl)thiourea?
The canonical SMILES for 1-cyclohexyl-3-(2-propan-2-ylphenyl)thiourea is CC(C)c1ccccc1NC(=S)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(2-propan-2-ylphenyl)thiourea?
The InChIKey is BTKPJTKPADJEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2S/c1-12(2)14-10-6-7-11-15(14)18-16(19)17-13-8-4-3-5-9-13/h6-7,10-13H,3-5,8-9H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-cyclohexyl-3-(2-propan-2-ylphenyl)thiourea?
1-cyclohexyl-3-(2-propan-2-ylphenyl)thiourea has a molecular weight of 276.45 g/mol, XLogP of 4.43, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(2-propan-2-ylphenyl)thiourea is sourced from PubChem (CID 4076591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).