1-(4-bromo-2-fluorophenyl)-3-ethylthiourea

C9H10BrFN2S — CID 8669013

IUPAC1-(4-bromo-2-fluorophenyl)-3-ethylthiourea
SMILESCCNC(=S)Nc1ccc(Br)cc1F
InChIInChI=1S/C9H10BrFN2S/c1-2-12-9(14)13-8-4-3-6(10)5-7(8)11/h3-5H,2H2,1H3,(H2,12,13,14)
InChIKeyUGIXLCRJBJXPCV-UHFFFAOYSA-N
MW277.16 g/mol
LogP2.89
Rot. Bonds2

About 1-(4-bromo-2-fluorophenyl)-3-ethylthiourea

1-(4-bromo-2-fluorophenyl)-3-ethylthiourea (PubChem CID 8669013) has the molecular formula C9H10BrFN2S and a molecular weight of 277.16 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-3-ethylthiourea.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-3-ethylthiourea
PubChem CID8669013
Molecular FormulaC9H10BrFN2S
Molecular Weight277.16 g/mol
Exact Mass275.97
IUPAC Name1-(4-bromo-2-fluorophenyl)-3-ethylthiourea
SMILESCCNC(=S)Nc1ccc(Br)cc1F
InChIInChI=1S/C9H10BrFN2S/c1-2-12-9(14)13-8-4-3-6(10)5-7(8)11/h3-5H,2H2,1H3,(H2,12,13,14)
InChIKeyUGIXLCRJBJXPCV-UHFFFAOYSA-N
XLogP2.89
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.16
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(4-bromo-2-fluorophenyl)-3-ethylthiourea 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

1-(4-bromo-2-methylphenyl)-3-ethylthiourea
CID 8682351
1-(4-bromo-2-fluorophenyl)-3-butan-2-ylthiourea
CID 132783890
N-[(4-bromo-2-fluorophenyl)carbamothioyl]pentanamide
CID 17100465
1-(4-bromo-2-fluorophenyl)-3-[2-(N-ethyl-4-methylanilino)ethyl]thiourea
CID 100753377
1-(4-bromo-2-fluorophenyl)-3-[(4-propan-2-yloxyphenyl)methyl]thiourea
CID 100636081
1-(4-bromo-2-fluorophenyl)-3-(1-ethylcyclopentyl)thiourea
CID 100769588
1-(2-bromo-5-fluorophenyl)-3-ethylthiourea
CID 103750583
1-(4-bromo-2-fluorophenyl)-3-(3,5-difluorophenyl)thiourea
CID 53488914
1-(4-bromo-2-fluorophenyl)-3-[(2R)-4-phenylbutan-2-yl]thiourea
CID 100662341
1-(4-bromo-2-fluorophenyl)-3-[3-(3,5-dimethylpiperidin-1-yl)propyl]thiourea
CID 133154863
1-(4-bromo-2-fluorophenyl)-3-(2-cyclohexylsulfanylethyl)thiourea
CID 100602819
N-[(4-bromo-2-fluorophenyl)carbamothioyl]-3,5-dimethylbenzamide
CID 19629523

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-3-ethylthiourea?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-3-ethylthiourea (CID 8669013) is 1-(4-bromo-2-fluorophenyl)-3-ethylthiourea.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-3-ethylthiourea?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-3-ethylthiourea is CCNC(=S)Nc1ccc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-3-ethylthiourea?
The InChIKey is UGIXLCRJBJXPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrFN2S/c1-2-12-9(14)13-8-4-3-6(10)5-7(8)11/h3-5H,2H2,1H3,(H2,12,13,14).
What are the key properties of 1-(4-bromo-2-fluorophenyl)-3-ethylthiourea?
1-(4-bromo-2-fluorophenyl)-3-ethylthiourea has a molecular weight of 277.16 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-3-ethylthiourea is sourced from PubChem (CID 8669013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).