1-(2-chloro-5-fluorophenyl)-3-(3-chloro-4-methylphenyl)thiourea

C14H11Cl2FN2S — CID 53489418

IUPAC1-(2-chloro-5-fluorophenyl)-3-(3-chloro-4-methylphenyl)thiourea
SMILESCc1ccc(NC(=S)Nc2cc(F)ccc2Cl)cc1Cl
InChIInChI=1S/C14H11Cl2FN2S/c1-8-2-4-10(7-12(8)16)18-14(20)19-13-6-9(17)3-5-11(13)15/h2-7H,1H3,(H2,18,19,20)
InChIKeyUZRLVERMRCAROB-UHFFFAOYSA-N
MW329.23 g/mol
LogP5.25
Rot. Bonds2

About 1-(2-chloro-5-fluorophenyl)-3-(3-chloro-4-methylphenyl)thiourea

1-(2-chloro-5-fluorophenyl)-3-(3-chloro-4-methylphenyl)thiourea (PubChem CID 53489418) has the molecular formula C14H11Cl2FN2S and a molecular weight of 329.23 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-3-(3-chloro-4-methylphenyl)thiourea.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-3-(3-chloro-4-methylphenyl)thiourea
PubChem CID53489418
Molecular FormulaC14H11Cl2FN2S
Molecular Weight329.23 g/mol
Exact Mass328.00
IUPAC Name1-(2-chloro-5-fluorophenyl)-3-(3-chloro-4-methylphenyl)thiourea
SMILESCc1ccc(NC(=S)Nc2cc(F)ccc2Cl)cc1Cl
InChIInChI=1S/C14H11Cl2FN2S/c1-8-2-4-10(7-12(8)16)18-14(20)19-13-6-9(17)3-5-11(13)15/h2-7H,1H3,(H2,18,19,20)
InChIKeyUZRLVERMRCAROB-UHFFFAOYSA-N
XLogP5.25
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.23
LogP ≤ 55.25
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-(3,4-dichlorophenyl)-3-(5-fluoro-2-methylphenyl)thiourea
CID 4225597
1-(3-chloro-4-methylphenyl)-3-(4-fluoro-2-methylphenyl)thiourea
CID 19679918
1-(2-chloro-5-fluorophenyl)-3-(4-fluoro-3-methylphenyl)thiourea
CID 53365051
1-(2-chloro-5-fluorophenyl)-3-(3,5-difluorophenyl)thiourea
CID 53488911
1-(2-chloro-5-fluorophenyl)-3-(4-chloro-2-methylphenyl)thiourea
CID 46924142
1-(3-chloro-4-methylphenyl)-3-(4-chloro-3-methylphenyl)thiourea
CID 53489424
1-(3,4-dichlorophenyl)-3-(2,5-difluorophenyl)thiourea
CID 17380627
1-(3-fluoro-4-methylphenyl)-3-(5-fluoro-2-methylphenyl)thiourea
CID 53489176
1-(3,4-dichlorophenyl)-3-(3-fluoro-4-methylphenyl)thiourea
CID 17383573
1-(3-chloro-4-methylphenyl)-3-[(1R)-1-(2,4-difluorophenyl)ethyl]thiourea
CID 8678334
1-(2-chloro-5-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]thiourea
CID 53489485
1-(5-fluoro-2-methylphenyl)-3-(4-iodophenyl)thiourea
CID 53489169

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-3-(3-chloro-4-methylphenyl)thiourea?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-3-(3-chloro-4-methylphenyl)thiourea (CID 53489418) is 1-(2-chloro-5-fluorophenyl)-3-(3-chloro-4-methylphenyl)thiourea.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-3-(3-chloro-4-methylphenyl)thiourea?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-3-(3-chloro-4-methylphenyl)thiourea is Cc1ccc(NC(=S)Nc2cc(F)ccc2Cl)cc1Cl.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-3-(3-chloro-4-methylphenyl)thiourea?
The InChIKey is UZRLVERMRCAROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2FN2S/c1-8-2-4-10(7-12(8)16)18-14(20)19-13-6-9(17)3-5-11(13)15/h2-7H,1H3,(H2,18,19,20).
What are the key properties of 1-(2-chloro-5-fluorophenyl)-3-(3-chloro-4-methylphenyl)thiourea?
1-(2-chloro-5-fluorophenyl)-3-(3-chloro-4-methylphenyl)thiourea has a molecular weight of 329.23 g/mol, XLogP of 5.25, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluorophenyl)-3-(3-chloro-4-methylphenyl)thiourea is sourced from PubChem (CID 53489418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).