1-cyclohexyl-3-(2-ethyl-6-propan-2-ylphenyl)-1-methylthiourea

C19H30N2S — CID 87849745

IUPAC1-cyclohexyl-3-(2-ethyl-6-propan-2-ylphenyl)-1-methylthiourea
SMILESCCc1cccc(C(C)C)c1NC(=S)N(C)C1CCCCC1
InChIInChI=1S/C19H30N2S/c1-5-15-10-9-13-17(14(2)3)18(15)20-19(22)21(4)16-11-7-6-8-12-16/h9-10,13-14,16H,5-8,11-12H2,1-4H3,(H,20,22)
InChIKeyPLUHHRFRADYERC-UHFFFAOYSA-N
MW318.53 g/mol
LogP5.33
Rot. Bonds4

About 1-cyclohexyl-3-(2-ethyl-6-propan-2-ylphenyl)-1-methylthiourea

1-cyclohexyl-3-(2-ethyl-6-propan-2-ylphenyl)-1-methylthiourea (PubChem CID 87849745) has the molecular formula C19H30N2S and a molecular weight of 318.53 g/mol. Its IUPAC name is 1-cyclohexyl-3-(2-ethyl-6-propan-2-ylphenyl)-1-methylthiourea.

Molecular Properties

Compound Name1-cyclohexyl-3-(2-ethyl-6-propan-2-ylphenyl)-1-methylthiourea
PubChem CID87849745
Molecular FormulaC19H30N2S
Molecular Weight318.53 g/mol
Exact Mass318.21
IUPAC Name1-cyclohexyl-3-(2-ethyl-6-propan-2-ylphenyl)-1-methylthiourea
SMILESCCc1cccc(C(C)C)c1NC(=S)N(C)C1CCCCC1
InChIInChI=1S/C19H30N2S/c1-5-15-10-9-13-17(14(2)3)18(15)20-19(22)21(4)16-11-7-6-8-12-16/h9-10,13-14,16H,5-8,11-12H2,1-4H3,(H,20,22)
InChIKeyPLUHHRFRADYERC-UHFFFAOYSA-N
XLogP5.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.53
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(cyclopropylmethyl)-3-(2-ethyl-6-propan-2-ylphenyl)-1-propylurea
CID 3684138
N-[2,6-di(propan-2-yl)phenyl]cyclohexanecarboxamide
CID 729635
2-[acetyl(cyclohexyl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 113159574
1-(2-ethyl-6-propan-2-ylphenyl)-3-prop-2-ynylurea
CID 3597757
2-ethyl-N-methyl-6-propan-2-ylaniline
CID 131620902
N-cyclopropyl-2-(2,6-diethylanilino)-N-methylacetamide
CID 62327514
1-cycloheptyl-1-methyl-3-(2-methylpropyl)thiourea
CID 115576097
N-cyclohexyl-N-methyl-2-(2-propan-2-ylanilino)acetamide
CID 54823199
N-cycloheptyl-1-(2-ethylphenyl)-N-methylethane-1,2-diamine
CID 62413896
1-(diaminomethylidene)-3-(2-ethyl-6-propan-2-ylphenyl)urea
CID 22769635
N-(2-butan-2-ylphenyl)-N'-cyclohexyl-N'-methyloxamide
CID 108503858
N'-[(6S)-2,6-di(propan-2-yl)cyclohexyl]-N-[2,6-di(propan-2-yl)phenyl]cyclohexanecarboximidamide
CID 58114908

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(2-ethyl-6-propan-2-ylphenyl)-1-methylthiourea?
The IUPAC name of 1-cyclohexyl-3-(2-ethyl-6-propan-2-ylphenyl)-1-methylthiourea (CID 87849745) is 1-cyclohexyl-3-(2-ethyl-6-propan-2-ylphenyl)-1-methylthiourea.
What is the SMILES notation for 1-cyclohexyl-3-(2-ethyl-6-propan-2-ylphenyl)-1-methylthiourea?
The canonical SMILES for 1-cyclohexyl-3-(2-ethyl-6-propan-2-ylphenyl)-1-methylthiourea is CCc1cccc(C(C)C)c1NC(=S)N(C)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(2-ethyl-6-propan-2-ylphenyl)-1-methylthiourea?
The InChIKey is PLUHHRFRADYERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2S/c1-5-15-10-9-13-17(14(2)3)18(15)20-19(22)21(4)16-11-7-6-8-12-16/h9-10,13-14,16H,5-8,11-12H2,1-4H3,(H,20,22).
What are the key properties of 1-cyclohexyl-3-(2-ethyl-6-propan-2-ylphenyl)-1-methylthiourea?
1-cyclohexyl-3-(2-ethyl-6-propan-2-ylphenyl)-1-methylthiourea has a molecular weight of 318.53 g/mol, XLogP of 5.33, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(2-ethyl-6-propan-2-ylphenyl)-1-methylthiourea is sourced from PubChem (CID 87849745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).