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

C17H19BrN2S — CID 19687710

IUPAC1-(4-bromo-2-ethylphenyl)-3-(2,3-dimethylphenyl)thiourea
SMILESCCc1cc(Br)ccc1NC(=S)Nc1cccc(C)c1C
InChIInChI=1S/C17H19BrN2S/c1-4-13-10-14(18)8-9-16(13)20-17(21)19-15-7-5-6-11(2)12(15)3/h5-10H,4H2,1-3H3,(H2,19,20,21)
InChIKeyZEYANMCHCPWSTF-UHFFFAOYSA-N
MW363.32 g/mol
LogP5.44
Rot. Bonds3

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

1-(4-bromo-2-ethylphenyl)-3-(2,3-dimethylphenyl)thiourea (PubChem CID 19687710) has the molecular formula C17H19BrN2S and a molecular weight of 363.32 g/mol. Its IUPAC name is 1-(4-bromo-2-ethylphenyl)-3-(2,3-dimethylphenyl)thiourea.

Molecular Properties

Compound Name1-(4-bromo-2-ethylphenyl)-3-(2,3-dimethylphenyl)thiourea
PubChem CID19687710
Molecular FormulaC17H19BrN2S
Molecular Weight363.32 g/mol
Exact Mass362.05
IUPAC Name1-(4-bromo-2-ethylphenyl)-3-(2,3-dimethylphenyl)thiourea
SMILESCCc1cc(Br)ccc1NC(=S)Nc1cccc(C)c1C
InChIInChI=1S/C17H19BrN2S/c1-4-13-10-14(18)8-9-16(13)20-17(21)19-15-7-5-6-11(2)12(15)3/h5-10H,4H2,1-3H3,(H2,19,20,21)
InChIKeyZEYANMCHCPWSTF-UHFFFAOYSA-N
XLogP5.44
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.32
LogP ≤ 55.44
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-ethylphenyl)-3-(2,3-dichlorophenyl)thiourea
CID 19687705
1-(4-bromo-2-chlorophenyl)-3-(4-bromo-2-ethylphenyl)thiourea
CID 19687725
2-bromo-N-(4-bromo-2-ethylphenyl)-3-methylbenzamide
CID 103855381
1-(4-bromo-2-ethylphenyl)-3-cyclopentylthiourea
CID 19687737
N-(4-bromo-2-ethylphenyl)-2-methylbenzamide
CID 81003246
1-(4-bromo-2-ethylphenyl)-3-cyclohexylthiourea
CID 19687726
1-(2,3-dimethylphenyl)-3-ethylthiourea
CID 4930198
1-(2,3-dimethylphenyl)-3-(ethylcarbamothioylamino)thiourea
CID 7941891
1-[(2S)-butan-2-yl]-3-(2,3-dimethylphenyl)thiourea
CID 8619676
1-(4-bromo-2-ethylphenyl)-3-(2-bromophenyl)urea
CID 17217802
1,3-bis(2-ethylphenyl)thiourea
CID 3034485
N-(4-bromo-2-ethylphenyl)-3-chloro-2-methylbenzamide
CID 107096920

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-ethylphenyl)-3-(2,3-dimethylphenyl)thiourea?
The IUPAC name of 1-(4-bromo-2-ethylphenyl)-3-(2,3-dimethylphenyl)thiourea (CID 19687710) is 1-(4-bromo-2-ethylphenyl)-3-(2,3-dimethylphenyl)thiourea.
What is the SMILES notation for 1-(4-bromo-2-ethylphenyl)-3-(2,3-dimethylphenyl)thiourea?
The canonical SMILES for 1-(4-bromo-2-ethylphenyl)-3-(2,3-dimethylphenyl)thiourea is CCc1cc(Br)ccc1NC(=S)Nc1cccc(C)c1C.
What is the InChIKey of 1-(4-bromo-2-ethylphenyl)-3-(2,3-dimethylphenyl)thiourea?
The InChIKey is ZEYANMCHCPWSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2S/c1-4-13-10-14(18)8-9-16(13)20-17(21)19-15-7-5-6-11(2)12(15)3/h5-10H,4H2,1-3H3,(H2,19,20,21).
What are the key properties of 1-(4-bromo-2-ethylphenyl)-3-(2,3-dimethylphenyl)thiourea?
1-(4-bromo-2-ethylphenyl)-3-(2,3-dimethylphenyl)thiourea has a molecular weight of 363.32 g/mol, XLogP of 5.44, 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-dimethylphenyl)thiourea is sourced from PubChem (CID 19687710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).