1-(2-chlorophenyl)-3-(3-fluoro-2-methylphenyl)thiourea

C14H12ClFN2S — CID 53364910

IUPAC1-(2-chlorophenyl)-3-(3-fluoro-2-methylphenyl)thiourea
SMILESCc1c(F)cccc1NC(=S)Nc1ccccc1Cl
InChIInChI=1S/C14H12ClFN2S/c1-9-11(16)6-4-8-12(9)17-14(19)18-13-7-3-2-5-10(13)15/h2-8H,1H3,(H2,17,18,19)
InChIKeyCONRITPCHRYTFK-UHFFFAOYSA-N
MW294.78 g/mol
LogP4.60
Rot. Bonds2

About 1-(2-chlorophenyl)-3-(3-fluoro-2-methylphenyl)thiourea

1-(2-chlorophenyl)-3-(3-fluoro-2-methylphenyl)thiourea (PubChem CID 53364910) has the molecular formula C14H12ClFN2S and a molecular weight of 294.78 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-(3-fluoro-2-methylphenyl)thiourea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-(3-fluoro-2-methylphenyl)thiourea
PubChem CID53364910
Molecular FormulaC14H12ClFN2S
Molecular Weight294.78 g/mol
Exact Mass294.04
IUPAC Name1-(2-chlorophenyl)-3-(3-fluoro-2-methylphenyl)thiourea
SMILESCc1c(F)cccc1NC(=S)Nc1ccccc1Cl
InChIInChI=1S/C14H12ClFN2S/c1-9-11(16)6-4-8-12(9)17-14(19)18-13-7-3-2-5-10(13)15/h2-8H,1H3,(H2,17,18,19)
InChIKeyCONRITPCHRYTFK-UHFFFAOYSA-N
XLogP4.60
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(2-chlorophenyl)-3-(3-fluoro-2-methylphenyl)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

1-(3-chloro-2-fluorophenyl)-3-(3-fluoro-2-methylphenyl)thiourea
CID 53364922
1-(4-chlorophenyl)-3-(3-fluoro-2-methylphenyl)thiourea
CID 53364912
1-(4-chloro-2-methylphenyl)-3-(3-fluoro-2-methylphenyl)thiourea
CID 46924089
1-(3-fluoro-2-methylphenyl)-3-naphthalen-1-ylthiourea
CID 977420
1-(3-fluoro-2-methylphenyl)-3-(4-fluorophenyl)thiourea
CID 53488526
1-(2,3-dichlorophenyl)-3-(2-fluorophenyl)thiourea
CID 4841872
1-(2-fluoro-5-methylphenyl)-3-(3-fluoro-2-methylphenyl)thiourea
CID 53364863
1-(5-chloro-2-methoxyphenyl)-3-(3-fluoro-2-methylphenyl)thiourea
CID 46924090
1-[4-(dimethylamino)phenyl]-3-(3-fluoro-2-methylphenyl)thiourea
CID 53488520
1-(3-chloro-2-methylphenyl)-3-methylthiourea
CID 976431
1-(3-chloro-2-fluorophenyl)-3-(3,5-dimethylphenyl)thiourea
CID 53365078
1-(3-fluoro-2-methylphenyl)-3-(3-methylsulfanylphenyl)thiourea
CID 53364887

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-(3-fluoro-2-methylphenyl)thiourea?
The IUPAC name of 1-(2-chlorophenyl)-3-(3-fluoro-2-methylphenyl)thiourea (CID 53364910) is 1-(2-chlorophenyl)-3-(3-fluoro-2-methylphenyl)thiourea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-(3-fluoro-2-methylphenyl)thiourea?
The canonical SMILES for 1-(2-chlorophenyl)-3-(3-fluoro-2-methylphenyl)thiourea is Cc1c(F)cccc1NC(=S)Nc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-(3-fluoro-2-methylphenyl)thiourea?
The InChIKey is CONRITPCHRYTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2S/c1-9-11(16)6-4-8-12(9)17-14(19)18-13-7-3-2-5-10(13)15/h2-8H,1H3,(H2,17,18,19).
What are the key properties of 1-(2-chlorophenyl)-3-(3-fluoro-2-methylphenyl)thiourea?
1-(2-chlorophenyl)-3-(3-fluoro-2-methylphenyl)thiourea has a molecular weight of 294.78 g/mol, XLogP of 4.60, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-(3-fluoro-2-methylphenyl)thiourea is sourced from PubChem (CID 53364910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).