1-(2,3-dichlorophenyl)-3-(2-fluorophenyl)thiourea

C13H9Cl2FN2S — CID 4841872

IUPAC1-(2,3-dichlorophenyl)-3-(2-fluorophenyl)thiourea
SMILESFc1ccccc1NC(=S)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C13H9Cl2FN2S/c14-8-4-3-7-11(12(8)15)18-13(19)17-10-6-2-1-5-9(10)16/h1-7H,(H2,17,18,19)
InChIKeyCUVULSVTDHVXPC-UHFFFAOYSA-N
MW315.20 g/mol
LogP4.94
Rot. Bonds2

About 1-(2,3-dichlorophenyl)-3-(2-fluorophenyl)thiourea

1-(2,3-dichlorophenyl)-3-(2-fluorophenyl)thiourea (PubChem CID 4841872) has the molecular formula C13H9Cl2FN2S and a molecular weight of 315.20 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-3-(2-fluorophenyl)thiourea.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-3-(2-fluorophenyl)thiourea
PubChem CID4841872
Molecular FormulaC13H9Cl2FN2S
Molecular Weight315.20 g/mol
Exact Mass313.98
IUPAC Name1-(2,3-dichlorophenyl)-3-(2-fluorophenyl)thiourea
SMILESFc1ccccc1NC(=S)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C13H9Cl2FN2S/c14-8-4-3-7-11(12(8)15)18-13(19)17-10-6-2-1-5-9(10)16/h1-7H,(H2,17,18,19)
InChIKeyCUVULSVTDHVXPC-UHFFFAOYSA-N
XLogP4.94
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.20
LogP ≤ 54.94
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-(2,3-dichlorophenyl)-3-(2,5-difluorophenyl)thiourea
CID 17381854
1-(2-chlorophenyl)-3-(3-fluoro-2-methylphenyl)thiourea
CID 53364910
1-amino-3-(2-chloro-3-fluorophenyl)thiourea
CID 51000226
1-(2,3-dichlorophenyl)-3-(3-fluoro-4-methoxyphenyl)thiourea
CID 53364769
1-(2,3-dichlorophenyl)-3-(dimethylamino)thiourea
CID 2731362
1-(3-chloro-2-fluorophenyl)-3-(3-fluoro-2-methylphenyl)thiourea
CID 53364922
1-(2-benzoylphenyl)-3-(2,3-dichlorophenyl)thiourea
CID 19648807
1-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-3-(2-fluorophenyl)thiourea
CID 100605542
2-[(2-chlorophenyl)carbamothioylamino]benzenethiolate
CID 6932852
1-(2-tert-butylphenyl)-3-(2-fluorophenyl)thiourea
CID 4662222
1-[(3-chlorophenyl)methyl]-3-(2-fluorophenyl)thiourea
CID 8669047
1-(3-chloro-2-fluorophenyl)-3-(2,5-dichlorophenyl)thiourea
CID 53365117

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-3-(2-fluorophenyl)thiourea?
The IUPAC name of 1-(2,3-dichlorophenyl)-3-(2-fluorophenyl)thiourea (CID 4841872) is 1-(2,3-dichlorophenyl)-3-(2-fluorophenyl)thiourea.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-3-(2-fluorophenyl)thiourea?
The canonical SMILES for 1-(2,3-dichlorophenyl)-3-(2-fluorophenyl)thiourea is Fc1ccccc1NC(=S)Nc1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-3-(2-fluorophenyl)thiourea?
The InChIKey is CUVULSVTDHVXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2FN2S/c14-8-4-3-7-11(12(8)15)18-13(19)17-10-6-2-1-5-9(10)16/h1-7H,(H2,17,18,19).
What are the key properties of 1-(2,3-dichlorophenyl)-3-(2-fluorophenyl)thiourea?
1-(2,3-dichlorophenyl)-3-(2-fluorophenyl)thiourea has a molecular weight of 315.20 g/mol, XLogP of 4.94, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-3-(2-fluorophenyl)thiourea is sourced from PubChem (CID 4841872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).