1-(5-fluoro-2-methylphenyl)-3-(4-iodophenyl)thiourea

C14H12FIN2S — CID 53489169

IUPAC1-(5-fluoro-2-methylphenyl)-3-(4-iodophenyl)thiourea
SMILESCc1ccc(F)cc1NC(=S)Nc1ccc(I)cc1
InChIInChI=1S/C14H12FIN2S/c1-9-2-3-10(15)8-13(9)18-14(19)17-12-6-4-11(16)5-7-12/h2-8H,1H3,(H2,17,18,19)
InChIKeyHUSCHTPZVMPYQU-UHFFFAOYSA-N
MW386.23 g/mol
LogP4.55
Rot. Bonds2

About 1-(5-fluoro-2-methylphenyl)-3-(4-iodophenyl)thiourea

1-(5-fluoro-2-methylphenyl)-3-(4-iodophenyl)thiourea (PubChem CID 53489169) has the molecular formula C14H12FIN2S and a molecular weight of 386.23 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylphenyl)-3-(4-iodophenyl)thiourea.

Molecular Properties

Compound Name1-(5-fluoro-2-methylphenyl)-3-(4-iodophenyl)thiourea
PubChem CID53489169
Molecular FormulaC14H12FIN2S
Molecular Weight386.23 g/mol
Exact Mass385.97
IUPAC Name1-(5-fluoro-2-methylphenyl)-3-(4-iodophenyl)thiourea
SMILESCc1ccc(F)cc1NC(=S)Nc1ccc(I)cc1
InChIInChI=1S/C14H12FIN2S/c1-9-2-3-10(15)8-13(9)18-14(19)17-12-6-4-11(16)5-7-12/h2-8H,1H3,(H2,17,18,19)
InChIKeyHUSCHTPZVMPYQU-UHFFFAOYSA-N
XLogP4.55
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.23
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3-fluoro-4-methylphenyl)-3-(5-fluoro-2-methylphenyl)thiourea
CID 53489176
1-(2,5-dimethylphenyl)-3-(4-fluorophenyl)thiourea
CID 681237
1-(3,4-dichlorophenyl)-3-(5-fluoro-2-methylphenyl)thiourea
CID 4225597
1-(2-chloro-4-fluorophenyl)-3-(4-iodophenyl)thiourea
CID 53489361
1-(4-fluoro-3-methylphenyl)-3-(4-iodophenyl)thiourea
CID 53365050
1-(3,4-dimethoxyphenyl)-3-(5-fluoro-2-methylphenyl)thiourea
CID 19687302
1-(5-fluoro-2-methylphenyl)-3-(2-fluorophenyl)thiourea
CID 19687280
1-(2-chloro-5-fluorophenyl)-3-(3-chloro-4-methylphenyl)thiourea
CID 53489418
dimethyl 5-[(5-fluoro-2-methylphenyl)carbamothioylamino]benzene-1,3-dicarboxylate
CID 53489159
1-(4-chloro-2-methylphenyl)-3-(5-fluoro-2-methylphenyl)thiourea
CID 46924150
1-(2-chloro-5-fluorophenyl)-3-(4-fluoro-3-methylphenyl)thiourea
CID 53365051
1-[2-methyl-5-(phenylcarbamothioylamino)phenyl]-3-phenylthiourea
CID 3654028

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylphenyl)-3-(4-iodophenyl)thiourea?
The IUPAC name of 1-(5-fluoro-2-methylphenyl)-3-(4-iodophenyl)thiourea (CID 53489169) is 1-(5-fluoro-2-methylphenyl)-3-(4-iodophenyl)thiourea.
What is the SMILES notation for 1-(5-fluoro-2-methylphenyl)-3-(4-iodophenyl)thiourea?
The canonical SMILES for 1-(5-fluoro-2-methylphenyl)-3-(4-iodophenyl)thiourea is Cc1ccc(F)cc1NC(=S)Nc1ccc(I)cc1.
What is the InChIKey of 1-(5-fluoro-2-methylphenyl)-3-(4-iodophenyl)thiourea?
The InChIKey is HUSCHTPZVMPYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FIN2S/c1-9-2-3-10(15)8-13(9)18-14(19)17-12-6-4-11(16)5-7-12/h2-8H,1H3,(H2,17,18,19).
What are the key properties of 1-(5-fluoro-2-methylphenyl)-3-(4-iodophenyl)thiourea?
1-(5-fluoro-2-methylphenyl)-3-(4-iodophenyl)thiourea has a molecular weight of 386.23 g/mol, XLogP of 4.55, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methylphenyl)-3-(4-iodophenyl)thiourea is sourced from PubChem (CID 53489169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).