1-phenyl-3-(4-propylcyclohexyl)thiourea

C16H24N2S — CID 115591592

IUPAC1-phenyl-3-(4-propylcyclohexyl)thiourea
SMILESCCCC1CCC(NC(=S)Nc2ccccc2)CC1
InChIInChI=1S/C16H24N2S/c1-2-6-13-9-11-15(12-10-13)18-16(19)17-14-7-4-3-5-8-14/h3-5,7-8,13,15H,2,6,9-12H2,1H3,(H2,17,18,19)
InChIKeyIJZHCVKNHGDGBV-UHFFFAOYSA-N
MW276.45 g/mol
LogP4.33
Rot. Bonds4

About 1-phenyl-3-(4-propylcyclohexyl)thiourea

1-phenyl-3-(4-propylcyclohexyl)thiourea (PubChem CID 115591592) has the molecular formula C16H24N2S and a molecular weight of 276.45 g/mol. Its IUPAC name is 1-phenyl-3-(4-propylcyclohexyl)thiourea.

Molecular Properties

Compound Name1-phenyl-3-(4-propylcyclohexyl)thiourea
PubChem CID115591592
Molecular FormulaC16H24N2S
Molecular Weight276.45 g/mol
Exact Mass276.17
IUPAC Name1-phenyl-3-(4-propylcyclohexyl)thiourea
SMILESCCCC1CCC(NC(=S)Nc2ccccc2)CC1
InChIInChI=1S/C16H24N2S/c1-2-6-13-9-11-15(12-10-13)18-16(19)17-14-7-4-3-5-8-14/h3-5,7-8,13,15H,2,6,9-12H2,1H3,(H2,17,18,19)
InChIKeyIJZHCVKNHGDGBV-UHFFFAOYSA-N
XLogP4.33
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-cycloheptyl-3-phenylthiourea
CID 4085620
1-cyclopropyl-3-(4-phenylphenyl)thiourea
CID 7942442
1-phenyl-3-(thian-4-yl)thiourea
CID 115599642
1-(3-ethoxycyclobutyl)-3-phenylthiourea
CID 105414637
1-(4-fluorophenyl)-3-[4-[[4-[(4-fluorophenyl)carbamothioylamino]cyclohexyl]methyl]cyclohexyl]thiourea
CID 4137701
1-[(4-ethylcyclohexyl)methyl]-3-phenylthiourea
CID 115594241
2-chloro-2-phenyl-N-(4-propylcyclohexyl)acetamide
CID 63463548
1-cyclopropyl-3-(3-phenoxyphenyl)thiourea
CID 115570462
benzyl N-(4-propylcyclohexyl)carbamate
CID 130580975
4-[(4-propylcyclohexyl)carbamoyl]benzoic acid
CID 61409748
1-cyclopropyl-3-[4-(ethylsulfamoyl)phenyl]thiourea
CID 19680552
1-phenyl-3-(thian-3-yl)thiourea
CID 115675091

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(4-propylcyclohexyl)thiourea?
The IUPAC name of 1-phenyl-3-(4-propylcyclohexyl)thiourea (CID 115591592) is 1-phenyl-3-(4-propylcyclohexyl)thiourea.
What is the SMILES notation for 1-phenyl-3-(4-propylcyclohexyl)thiourea?
The canonical SMILES for 1-phenyl-3-(4-propylcyclohexyl)thiourea is CCCC1CCC(NC(=S)Nc2ccccc2)CC1.
What is the InChIKey of 1-phenyl-3-(4-propylcyclohexyl)thiourea?
The InChIKey is IJZHCVKNHGDGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2S/c1-2-6-13-9-11-15(12-10-13)18-16(19)17-14-7-4-3-5-8-14/h3-5,7-8,13,15H,2,6,9-12H2,1H3,(H2,17,18,19).
What are the key properties of 1-phenyl-3-(4-propylcyclohexyl)thiourea?
1-phenyl-3-(4-propylcyclohexyl)thiourea has a molecular weight of 276.45 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(4-propylcyclohexyl)thiourea is sourced from PubChem (CID 115591592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).