1-(4-bromo-2-ethylphenyl)-3-(2,3-dichlorophenyl)thiourea

C15H13BrCl2N2S — CID 19687705

IUPAC1-(4-bromo-2-ethylphenyl)-3-(2,3-dichlorophenyl)thiourea
SMILESCCc1cc(Br)ccc1NC(=S)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C15H13BrCl2N2S/c1-2-9-8-10(16)6-7-12(9)19-15(21)20-13-5-3-4-11(17)14(13)18/h3-8H,2H2,1H3,(H2,19,20,21)
InChIKeyBOGNVCKENQIIES-UHFFFAOYSA-N
MW404.16 g/mol
LogP6.13
Rot. Bonds3

About 1-(4-bromo-2-ethylphenyl)-3-(2,3-dichlorophenyl)thiourea

1-(4-bromo-2-ethylphenyl)-3-(2,3-dichlorophenyl)thiourea (PubChem CID 19687705) has the molecular formula C15H13BrCl2N2S and a molecular weight of 404.16 g/mol. Its IUPAC name is 1-(4-bromo-2-ethylphenyl)-3-(2,3-dichlorophenyl)thiourea.

Molecular Properties

Compound Name1-(4-bromo-2-ethylphenyl)-3-(2,3-dichlorophenyl)thiourea
PubChem CID19687705
Molecular FormulaC15H13BrCl2N2S
Molecular Weight404.16 g/mol
Exact Mass401.94
IUPAC Name1-(4-bromo-2-ethylphenyl)-3-(2,3-dichlorophenyl)thiourea
SMILESCCc1cc(Br)ccc1NC(=S)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C15H13BrCl2N2S/c1-2-9-8-10(16)6-7-12(9)19-15(21)20-13-5-3-4-11(17)14(13)18/h3-8H,2H2,1H3,(H2,19,20,21)
InChIKeyBOGNVCKENQIIES-UHFFFAOYSA-N
XLogP6.13
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.16
LogP ≤ 56.13
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-bromo-2-chlorophenyl)-3-(4-bromo-2-ethylphenyl)thiourea
CID 19687725
1-(4-bromo-2-ethylphenyl)-3-(2,3-dimethylphenyl)thiourea
CID 19687710
N-(4-bromo-2-ethylphenyl)-3-chloro-2-methylbenzamide
CID 107096920
1-(4-bromo-2-chlorophenyl)-3-(2-butylphenyl)thiourea
CID 17300794
1-(2,3-dichlorophenyl)-3-(2-ethylphenyl)urea
CID 108991483
1-(2,3-dichlorophenyl)-3-pentan-2-ylthiourea
CID 19652308
1-(4-bromo-2-ethylphenyl)-3-cyclopentylthiourea
CID 19687737
2-(4-bromophenyl)-N-(2,3-dichlorophenyl)acetamide
CID 1346170
1-(4-bromo-2-ethylphenyl)-3-cyclohexylthiourea
CID 19687726
1-(4-bromo-2-ethylphenyl)-3-(2-bromophenyl)urea
CID 17217802
1,3-bis(2-ethylphenyl)thiourea
CID 3034485
1-(2,3-dichlorophenyl)-3-(2-methoxyethyl)thiourea
CID 8669095

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-ethylphenyl)-3-(2,3-dichlorophenyl)thiourea?
The IUPAC name of 1-(4-bromo-2-ethylphenyl)-3-(2,3-dichlorophenyl)thiourea (CID 19687705) is 1-(4-bromo-2-ethylphenyl)-3-(2,3-dichlorophenyl)thiourea.
What is the SMILES notation for 1-(4-bromo-2-ethylphenyl)-3-(2,3-dichlorophenyl)thiourea?
The canonical SMILES for 1-(4-bromo-2-ethylphenyl)-3-(2,3-dichlorophenyl)thiourea is CCc1cc(Br)ccc1NC(=S)Nc1cccc(Cl)c1Cl.
What is the InChIKey of 1-(4-bromo-2-ethylphenyl)-3-(2,3-dichlorophenyl)thiourea?
The InChIKey is BOGNVCKENQIIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrCl2N2S/c1-2-9-8-10(16)6-7-12(9)19-15(21)20-13-5-3-4-11(17)14(13)18/h3-8H,2H2,1H3,(H2,19,20,21).
What are the key properties of 1-(4-bromo-2-ethylphenyl)-3-(2,3-dichlorophenyl)thiourea?
1-(4-bromo-2-ethylphenyl)-3-(2,3-dichlorophenyl)thiourea has a molecular weight of 404.16 g/mol, XLogP of 6.13, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-ethylphenyl)-3-(2,3-dichlorophenyl)thiourea is sourced from PubChem (CID 19687705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).