1-(3-cyclohexylphenyl)-3-ethylthiourea

C15H22N2S — CID 142494199

IUPAC1-(3-cyclohexylphenyl)-3-ethylthiourea
SMILESCCNC(=S)Nc1cccc(C2CCCCC2)c1
InChIInChI=1S/C15H22N2S/c1-2-16-15(18)17-14-10-6-9-13(11-14)12-7-4-3-5-8-12/h6,9-12H,2-5,7-8H2,1H3,(H2,16,17,18)
InChIKeyFQEMLISSCDSJIG-UHFFFAOYSA-N
MW262.42 g/mol
LogP4.04
Rot. Bonds3

About 1-(3-cyclohexylphenyl)-3-ethylthiourea

1-(3-cyclohexylphenyl)-3-ethylthiourea (PubChem CID 142494199) has the molecular formula C15H22N2S and a molecular weight of 262.42 g/mol. Its IUPAC name is 1-(3-cyclohexylphenyl)-3-ethylthiourea.

Molecular Properties

Compound Name1-(3-cyclohexylphenyl)-3-ethylthiourea
PubChem CID142494199
Molecular FormulaC15H22N2S
Molecular Weight262.42 g/mol
Exact Mass262.15
IUPAC Name1-(3-cyclohexylphenyl)-3-ethylthiourea
SMILESCCNC(=S)Nc1cccc(C2CCCCC2)c1
InChIInChI=1S/C15H22N2S/c1-2-16-15(18)17-14-10-6-9-13(11-14)12-7-4-3-5-8-12/h6,9-12H,2-5,7-8H2,1H3,(H2,16,17,18)
InChIKeyFQEMLISSCDSJIG-UHFFFAOYSA-N
XLogP4.04
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 54.04
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-(3-cyclohexylphenyl)-3-ethylthiourea?
The IUPAC name of 1-(3-cyclohexylphenyl)-3-ethylthiourea (CID 142494199) is 1-(3-cyclohexylphenyl)-3-ethylthiourea.
What is the SMILES notation for 1-(3-cyclohexylphenyl)-3-ethylthiourea?
The canonical SMILES for 1-(3-cyclohexylphenyl)-3-ethylthiourea is CCNC(=S)Nc1cccc(C2CCCCC2)c1.
What is the InChIKey of 1-(3-cyclohexylphenyl)-3-ethylthiourea?
The InChIKey is FQEMLISSCDSJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2S/c1-2-16-15(18)17-14-10-6-9-13(11-14)12-7-4-3-5-8-12/h6,9-12H,2-5,7-8H2,1H3,(H2,16,17,18).
What are the key properties of 1-(3-cyclohexylphenyl)-3-ethylthiourea?
1-(3-cyclohexylphenyl)-3-ethylthiourea has a molecular weight of 262.42 g/mol, XLogP of 4.04, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclohexylphenyl)-3-ethylthiourea is sourced from PubChem (CID 142494199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).