1-(2,6-dichlorophenyl)-3-(2-phenylethyl)thiourea

C15H14Cl2N2S — CID 2826665

IUPAC1-(2,6-dichlorophenyl)-3-(2-phenylethyl)thiourea
SMILESS=C(NCCc1ccccc1)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C15H14Cl2N2S/c16-12-7-4-8-13(17)14(12)19-15(20)18-10-9-11-5-2-1-3-6-11/h1-8H,9-10H2,(H2,18,19,20)
InChIKeyGGZKBXVGDIISFQ-UHFFFAOYSA-N
MW325.26 g/mol
LogP4.52
Rot. Bonds4

About 1-(2,6-dichlorophenyl)-3-(2-phenylethyl)thiourea

1-(2,6-dichlorophenyl)-3-(2-phenylethyl)thiourea (PubChem CID 2826665) has the molecular formula C15H14Cl2N2S and a molecular weight of 325.26 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-3-(2-phenylethyl)thiourea.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-3-(2-phenylethyl)thiourea
PubChem CID2826665
Molecular FormulaC15H14Cl2N2S
Molecular Weight325.26 g/mol
Exact Mass324.03
IUPAC Name1-(2,6-dichlorophenyl)-3-(2-phenylethyl)thiourea
SMILESS=C(NCCc1ccccc1)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C15H14Cl2N2S/c16-12-7-4-8-13(17)14(12)19-15(20)18-10-9-11-5-2-1-3-6-11/h1-8H,9-10H2,(H2,18,19,20)
InChIKeyGGZKBXVGDIISFQ-UHFFFAOYSA-N
XLogP4.52
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.26
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-Chlorophenyl)-3-(2-phenylethyl)thiourea
CID 878760
1-(2-Chlorophenyl)-3-phenyl-2-thiourea
CID 698358
1-Benzyl-3-(2-chlorophenyl)urea
CID 5129458
3-(2-Chloro-6-methylphenyl)-1-[1,2-di(phenyl)ethyl]thiourea
CID 2725220
1-(4-Chlorobenzyl)-3-(2-fluorophenyl)thiourea
CID 883448
1-(3-Chloro-4-fluorophenyl)-3-[2-(4-fluorophenyl)ethyl]thiourea
CID 972392
N-(2-chlorobenzyl)-N'-(3-fluorophenyl)thiourea
CID 2731424
N-(2-chlorophenyl)-3-phenylpyrrolidine-1-carbothioamide
CID 5066117
1-[2-(3-Chlorophenyl)ethyl]-3-(2-fluorophenyl)thiourea
CID 8485697
1-[2-(4-Chlorophenyl)ethyl]-3-(2-fluorophenyl)thiourea
CID 8669389
1-Benzyl-3-(4-chlorophenyl)thiourea
CID 773319
1-Cyclohexyl-3-(2,4-dichlorophenyl)thiourea
CID 886589

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-3-(2-phenylethyl)thiourea?
The IUPAC name of 1-(2,6-dichlorophenyl)-3-(2-phenylethyl)thiourea (CID 2826665) is 1-(2,6-dichlorophenyl)-3-(2-phenylethyl)thiourea.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-3-(2-phenylethyl)thiourea?
The canonical SMILES for 1-(2,6-dichlorophenyl)-3-(2-phenylethyl)thiourea is S=C(NCCc1ccccc1)Nc1c(Cl)cccc1Cl.
What is the InChIKey of 1-(2,6-dichlorophenyl)-3-(2-phenylethyl)thiourea?
The InChIKey is GGZKBXVGDIISFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2S/c16-12-7-4-8-13(17)14(12)19-15(20)18-10-9-11-5-2-1-3-6-11/h1-8H,9-10H2,(H2,18,19,20).
What are the key properties of 1-(2,6-dichlorophenyl)-3-(2-phenylethyl)thiourea?
1-(2,6-dichlorophenyl)-3-(2-phenylethyl)thiourea has a molecular weight of 325.26 g/mol, XLogP of 4.52, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-3-(2-phenylethyl)thiourea is sourced from PubChem (CID 2826665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).