1-cyclohexyl-3-[1-(2,4-dimethylphenyl)ethyl]thiourea

C17H26N2S — CID 19675254

IUPAC1-cyclohexyl-3-[1-(2,4-dimethylphenyl)ethyl]thiourea
SMILESCc1ccc(C(C)NC(=S)NC2CCCCC2)c(C)c1
InChIInChI=1S/C17H26N2S/c1-12-9-10-16(13(2)11-12)14(3)18-17(20)19-15-7-5-4-6-8-15/h9-11,14-15H,4-8H2,1-3H3,(H2,18,19,20)
InChIKeyUHXYJVWYBBHGJW-UHFFFAOYSA-N
MW290.48 g/mol
LogP4.16
Rot. Bonds3

About 1-cyclohexyl-3-[1-(2,4-dimethylphenyl)ethyl]thiourea

1-cyclohexyl-3-[1-(2,4-dimethylphenyl)ethyl]thiourea (PubChem CID 19675254) has the molecular formula C17H26N2S and a molecular weight of 290.48 g/mol. Its IUPAC name is 1-cyclohexyl-3-[1-(2,4-dimethylphenyl)ethyl]thiourea.

Molecular Properties

Compound Name1-cyclohexyl-3-[1-(2,4-dimethylphenyl)ethyl]thiourea
PubChem CID19675254
Molecular FormulaC17H26N2S
Molecular Weight290.48 g/mol
Exact Mass290.18
IUPAC Name1-cyclohexyl-3-[1-(2,4-dimethylphenyl)ethyl]thiourea
SMILESCc1ccc(C(C)NC(=S)NC2CCCCC2)c(C)c1
InChIInChI=1S/C17H26N2S/c1-12-9-10-16(13(2)11-12)14(3)18-17(20)19-15-7-5-4-6-8-15/h9-11,14-15H,4-8H2,1-3H3,(H2,18,19,20)
InChIKeyUHXYJVWYBBHGJW-UHFFFAOYSA-N
XLogP4.16
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.48
LogP ≤ 54.16
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-[1-(2,4-dimethylphenyl)ethyl]thiourea?
The IUPAC name of 1-cyclohexyl-3-[1-(2,4-dimethylphenyl)ethyl]thiourea (CID 19675254) is 1-cyclohexyl-3-[1-(2,4-dimethylphenyl)ethyl]thiourea.
What is the SMILES notation for 1-cyclohexyl-3-[1-(2,4-dimethylphenyl)ethyl]thiourea?
The canonical SMILES for 1-cyclohexyl-3-[1-(2,4-dimethylphenyl)ethyl]thiourea is Cc1ccc(C(C)NC(=S)NC2CCCCC2)c(C)c1.
What is the InChIKey of 1-cyclohexyl-3-[1-(2,4-dimethylphenyl)ethyl]thiourea?
The InChIKey is UHXYJVWYBBHGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2S/c1-12-9-10-16(13(2)11-12)14(3)18-17(20)19-15-7-5-4-6-8-15/h9-11,14-15H,4-8H2,1-3H3,(H2,18,19,20).
What are the key properties of 1-cyclohexyl-3-[1-(2,4-dimethylphenyl)ethyl]thiourea?
1-cyclohexyl-3-[1-(2,4-dimethylphenyl)ethyl]thiourea has a molecular weight of 290.48 g/mol, XLogP of 4.16, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[1-(2,4-dimethylphenyl)ethyl]thiourea is sourced from PubChem (CID 19675254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).