1-cyclohexyl-3-(2,4-dimethoxyphenyl)thiourea

C15H22N2O2S — CID 2170787

IUPAC1-cyclohexyl-3-(2,4-dimethoxyphenyl)thiourea
SMILESCOc1ccc(NC(=S)NC2CCCCC2)c(OC)c1
InChIInChI=1S/C15H22N2O2S/c1-18-12-8-9-13(14(10-12)19-2)17-15(20)16-11-6-4-3-5-7-11/h8-11H,3-7H2,1-2H3,(H2,16,17,20)
InChIKeyASSXCANPBPHEOC-UHFFFAOYSA-N
MW294.42 g/mol
LogP3.32
Rot. Bonds4

About 1-cyclohexyl-3-(2,4-dimethoxyphenyl)thiourea

1-cyclohexyl-3-(2,4-dimethoxyphenyl)thiourea (PubChem CID 2170787) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 1-cyclohexyl-3-(2,4-dimethoxyphenyl)thiourea.

Molecular Properties

Compound Name1-cyclohexyl-3-(2,4-dimethoxyphenyl)thiourea
PubChem CID2170787
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name1-cyclohexyl-3-(2,4-dimethoxyphenyl)thiourea
SMILESCOc1ccc(NC(=S)NC2CCCCC2)c(OC)c1
InChIInChI=1S/C15H22N2O2S/c1-18-12-8-9-13(14(10-12)19-2)17-15(20)16-11-6-4-3-5-7-11/h8-11H,3-7H2,1-2H3,(H2,16,17,20)
InChIKeyASSXCANPBPHEOC-UHFFFAOYSA-N
XLogP3.32
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(2,4-dimethoxyphenyl)thiourea?
The IUPAC name of 1-cyclohexyl-3-(2,4-dimethoxyphenyl)thiourea (CID 2170787) is 1-cyclohexyl-3-(2,4-dimethoxyphenyl)thiourea.
What is the SMILES notation for 1-cyclohexyl-3-(2,4-dimethoxyphenyl)thiourea?
The canonical SMILES for 1-cyclohexyl-3-(2,4-dimethoxyphenyl)thiourea is COc1ccc(NC(=S)NC2CCCCC2)c(OC)c1.
What is the InChIKey of 1-cyclohexyl-3-(2,4-dimethoxyphenyl)thiourea?
The InChIKey is ASSXCANPBPHEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-18-12-8-9-13(14(10-12)19-2)17-15(20)16-11-6-4-3-5-7-11/h8-11H,3-7H2,1-2H3,(H2,16,17,20).
What are the key properties of 1-cyclohexyl-3-(2,4-dimethoxyphenyl)thiourea?
1-cyclohexyl-3-(2,4-dimethoxyphenyl)thiourea has a molecular weight of 294.42 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(2,4-dimethoxyphenyl)thiourea is sourced from PubChem (CID 2170787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).