1-(2,5-difluorophenyl)-3-phenylthiourea

C13H10F2N2S — CID 17263148

IUPAC1-(2,5-difluorophenyl)-3-phenylthiourea
SMILESFc1ccc(F)c(NC(=S)Nc2ccccc2)c1
InChIInChI=1S/C13H10F2N2S/c14-9-6-7-11(15)12(8-9)17-13(18)16-10-4-2-1-3-5-10/h1-8H,(H2,16,17,18)
InChIKeyFRUSMLJKXIZXHE-UHFFFAOYSA-N
MW264.30 g/mol
LogP3.77
Rot. Bonds2

About 1-(2,5-difluorophenyl)-3-phenylthiourea

1-(2,5-difluorophenyl)-3-phenylthiourea (PubChem CID 17263148) has the molecular formula C13H10F2N2S and a molecular weight of 264.30 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-3-phenylthiourea.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-3-phenylthiourea
PubChem CID17263148
Molecular FormulaC13H10F2N2S
Molecular Weight264.30 g/mol
Exact Mass264.05
IUPAC Name1-(2,5-difluorophenyl)-3-phenylthiourea
SMILESFc1ccc(F)c(NC(=S)Nc2ccccc2)c1
InChIInChI=1S/C13H10F2N2S/c14-9-6-7-11(15)12(8-9)17-13(18)16-10-4-2-1-3-5-10/h1-8H,(H2,16,17,18)
InChIKeyFRUSMLJKXIZXHE-UHFFFAOYSA-N
XLogP3.77
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 53.77
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-(2,5-difluorophenyl)-3-methylthiourea
CID 8668955
1-(3,4-dichlorophenyl)-3-(2,5-difluorophenyl)thiourea
CID 17380627
1-(2,3-dichlorophenyl)-3-(2,5-difluorophenyl)thiourea
CID 17381854
1-(5-fluoro-2-methylphenyl)-3-(2-fluorophenyl)thiourea
CID 19687280
1-(2,4-dichlorophenyl)-3-phenylthiourea
CID 800229
1-(2,4-difluorophenyl)-3-[4-(phenylsulfamoyl)phenyl]thiourea
CID 25237672
1-(4-fluorophenyl)-3-[3-[(4-fluorophenyl)carbamothioylamino]phenyl]thiourea
CID 3450278
1-[4-chloro-2-(2-fluorobenzoyl)phenyl]-3-phenylthiourea
CID 4120115
1-(4-bromophenyl)-3-(2,4-difluorophenyl)thiourea
CID 683119
1-(2-chloro-4-fluorophenyl)-3-(3-chlorophenyl)thiourea
CID 53489351
1-(2,4-difluorophenyl)-3-(4-phenylmethoxyphenyl)thiourea
CID 19648747
1-(2-chloro-5-fluorophenyl)-3-(3,5-difluorophenyl)thiourea
CID 53488911

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-3-phenylthiourea?
The IUPAC name of 1-(2,5-difluorophenyl)-3-phenylthiourea (CID 17263148) is 1-(2,5-difluorophenyl)-3-phenylthiourea.
What is the SMILES notation for 1-(2,5-difluorophenyl)-3-phenylthiourea?
The canonical SMILES for 1-(2,5-difluorophenyl)-3-phenylthiourea is Fc1ccc(F)c(NC(=S)Nc2ccccc2)c1.
What is the InChIKey of 1-(2,5-difluorophenyl)-3-phenylthiourea?
The InChIKey is FRUSMLJKXIZXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2S/c14-9-6-7-11(15)12(8-9)17-13(18)16-10-4-2-1-3-5-10/h1-8H,(H2,16,17,18).
What are the key properties of 1-(2,5-difluorophenyl)-3-phenylthiourea?
1-(2,5-difluorophenyl)-3-phenylthiourea has a molecular weight of 264.30 g/mol, XLogP of 3.77, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-3-phenylthiourea is sourced from PubChem (CID 17263148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).