1,3-bis(2,4,6-triethylphenyl)thiourea

C25H36N2S — CID 156865136

IUPAC1,3-bis(2,4,6-triethylphenyl)thiourea
SMILESCCc1cc(CC)c(NC(=S)Nc2c(CC)cc(CC)cc2CC)c(CC)c1
InChIInChI=1S/C25H36N2S/c1-7-17-13-19(9-3)23(20(10-4)14-17)26-25(28)27-24-21(11-5)15-18(8-2)16-22(24)12-6/h13-16H,7-12H2,1-6H3,(H2,26,27,28)
InChIKeyDNLJZVGXCGUBHV-UHFFFAOYSA-N
MW396.64 g/mol
LogP6.87
Rot. Bonds8

About 1,3-bis(2,4,6-triethylphenyl)thiourea

1,3-bis(2,4,6-triethylphenyl)thiourea (PubChem CID 156865136) has the molecular formula C25H36N2S and a molecular weight of 396.64 g/mol. Its IUPAC name is 1,3-bis(2,4,6-triethylphenyl)thiourea.

Molecular Properties

Compound Name1,3-bis(2,4,6-triethylphenyl)thiourea
PubChem CID156865136
Molecular FormulaC25H36N2S
Molecular Weight396.64 g/mol
Exact Mass396.26
IUPAC Name1,3-bis(2,4,6-triethylphenyl)thiourea
SMILESCCc1cc(CC)c(NC(=S)Nc2c(CC)cc(CC)cc2CC)c(CC)c1
InChIInChI=1S/C25H36N2S/c1-7-17-13-19(9-3)23(20(10-4)14-17)26-25(28)27-24-21(11-5)15-18(8-2)16-22(24)12-6/h13-16H,7-12H2,1-6H3,(H2,26,27,28)
InChIKeyDNLJZVGXCGUBHV-UHFFFAOYSA-N
XLogP6.87
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.64
LogP ≤ 56.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,3-bis(2,4,6-triethylphenyl)thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-phenyl-N-(2,4,6-triethylphenyl)acetamide
CID 3115580
(1E)-1-[amino-(2,4,6-triethylanilino)methylidene]-2-methylguanidine
CID 88755153
N'-methyl-N'-[2-(2,4,6-triethylanilino)ethyl]-N-(2,4,6-triethylphenyl)ethane-1,2-diamine
CID 18441227
1-[(2-aminopyrimidin-5-yl)methyl]-1-methyl-3-(2,4,6-triethylphenyl)urea
CID 118773828
2-chloro-4,6-diethyl-N-methylaniline
CID 21161258
1-(4-ethylphenyl)-3-(4-hydroxyphenyl)thiourea
CID 23913156
1-(2,6-diethylphenyl)-3-[(4-fluorophenyl)methyl]thiourea
CID 17263012
(2,4,6-triethylphenyl)aluminum(2+)
CID 22768319
1,3-bis(2-ethylphenyl)thiourea
CID 3034485
1-amino-3-[2-(aminomethyl)-6-ethylphenyl]thiourea
CID 174777276
N-(4-tert-butyl-2,6-diethylphenyl)acetamide
CID 517593
2,4,6-triethylbenzoyl iodide
CID 139959913

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2,4,6-triethylphenyl)thiourea?
The IUPAC name of 1,3-bis(2,4,6-triethylphenyl)thiourea (CID 156865136) is 1,3-bis(2,4,6-triethylphenyl)thiourea.
What is the SMILES notation for 1,3-bis(2,4,6-triethylphenyl)thiourea?
The canonical SMILES for 1,3-bis(2,4,6-triethylphenyl)thiourea is CCc1cc(CC)c(NC(=S)Nc2c(CC)cc(CC)cc2CC)c(CC)c1.
What is the InChIKey of 1,3-bis(2,4,6-triethylphenyl)thiourea?
The InChIKey is DNLJZVGXCGUBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2S/c1-7-17-13-19(9-3)23(20(10-4)14-17)26-25(28)27-24-21(11-5)15-18(8-2)16-22(24)12-6/h13-16H,7-12H2,1-6H3,(H2,26,27,28).
What are the key properties of 1,3-bis(2,4,6-triethylphenyl)thiourea?
1,3-bis(2,4,6-triethylphenyl)thiourea has a molecular weight of 396.64 g/mol, XLogP of 6.87, 8 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2,4,6-triethylphenyl)thiourea is sourced from PubChem (CID 156865136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).