1-(4-chlorophenyl)-3-(3-fluoro-2-methylphenyl)thiourea

C14H12ClFN2S — CID 53364912

IUPAC1-(4-chlorophenyl)-3-(3-fluoro-2-methylphenyl)thiourea
SMILESCc1c(F)cccc1NC(=S)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H12ClFN2S/c1-9-12(16)3-2-4-13(9)18-14(19)17-11-7-5-10(15)6-8-11/h2-8H,1H3,(H2,17,18,19)
InChIKeyLRAFDOFFOWCGEG-UHFFFAOYSA-N
MW294.78 g/mol
LogP4.60
Rot. Bonds2

About 1-(4-chlorophenyl)-3-(3-fluoro-2-methylphenyl)thiourea

1-(4-chlorophenyl)-3-(3-fluoro-2-methylphenyl)thiourea (PubChem CID 53364912) has the molecular formula C14H12ClFN2S and a molecular weight of 294.78 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(3-fluoro-2-methylphenyl)thiourea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(3-fluoro-2-methylphenyl)thiourea
PubChem CID53364912
Molecular FormulaC14H12ClFN2S
Molecular Weight294.78 g/mol
Exact Mass294.04
IUPAC Name1-(4-chlorophenyl)-3-(3-fluoro-2-methylphenyl)thiourea
SMILESCc1c(F)cccc1NC(=S)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H12ClFN2S/c1-9-12(16)3-2-4-13(9)18-14(19)17-11-7-5-10(15)6-8-11/h2-8H,1H3,(H2,17,18,19)
InChIKeyLRAFDOFFOWCGEG-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'}

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Related Compounds

1-(3-fluoro-2-methylphenyl)-3-(4-fluorophenyl)thiourea
CID 53488526
1-[4-(dimethylamino)phenyl]-3-(3-fluoro-2-methylphenyl)thiourea
CID 53488520
1-(2-chlorophenyl)-3-(3-fluoro-2-methylphenyl)thiourea
CID 53364910
1-(4-chloro-2-methylphenyl)-3-(3-fluoro-2-methylphenyl)thiourea
CID 46924089
1-(3-chloro-2-fluorophenyl)-3-(3-fluoro-2-methylphenyl)thiourea
CID 53364922
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-(3-fluoro-2-methylphenyl)-3-(3-methylsulfanylphenyl)thiourea
CID 53364887
1-(3-fluoro-2-methylphenyl)-3-(4-phenylmethoxyphenyl)thiourea
CID 53364886
1-(3-fluoro-2-methylphenyl)-3-naphthalen-1-ylthiourea
CID 977420
1-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(2,3-dimethylphenyl)thiourea
CID 19678548
1-(4-chlorophenyl)-3-[3-[(4-chlorophenyl)carbamothioylamino]-4-methylphenyl]thiourea
CID 6481333

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(3-fluoro-2-methylphenyl)thiourea?
The IUPAC name of 1-(4-chlorophenyl)-3-(3-fluoro-2-methylphenyl)thiourea (CID 53364912) is 1-(4-chlorophenyl)-3-(3-fluoro-2-methylphenyl)thiourea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(3-fluoro-2-methylphenyl)thiourea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(3-fluoro-2-methylphenyl)thiourea is Cc1c(F)cccc1NC(=S)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(3-fluoro-2-methylphenyl)thiourea?
The InChIKey is LRAFDOFFOWCGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2S/c1-9-12(16)3-2-4-13(9)18-14(19)17-11-7-5-10(15)6-8-11/h2-8H,1H3,(H2,17,18,19).
What are the key properties of 1-(4-chlorophenyl)-3-(3-fluoro-2-methylphenyl)thiourea?
1-(4-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-(4-chlorophenyl)-3-(3-fluoro-2-methylphenyl)thiourea is sourced from PubChem (CID 53364912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).