5-fluoro-2-(4-fluoroanilino)benzenecarbothioamide

C13H10F2N2S — CID 55233894

IUPAC5-fluoro-2-(4-fluoroanilino)benzenecarbothioamide
SMILESNC(=S)c1cc(F)ccc1Nc1ccc(F)cc1
InChIInChI=1S/C13H10F2N2S/c14-8-1-4-10(5-2-8)17-12-6-3-9(15)7-11(12)13(16)18/h1-7,17H,(H2,16,18)
InChIKeyASKYWNJBRZRMGH-UHFFFAOYSA-N
MW264.30 g/mol
LogP3.34
Rot. Bonds3

About 5-fluoro-2-(4-fluoroanilino)benzenecarbothioamide

5-fluoro-2-(4-fluoroanilino)benzenecarbothioamide (PubChem CID 55233894) has the molecular formula C13H10F2N2S and a molecular weight of 264.30 g/mol. Its IUPAC name is 5-fluoro-2-(4-fluoroanilino)benzenecarbothioamide.

Molecular Properties

Compound Name5-fluoro-2-(4-fluoroanilino)benzenecarbothioamide
PubChem CID55233894
Molecular FormulaC13H10F2N2S
Molecular Weight264.30 g/mol
Exact Mass264.05
IUPAC Name5-fluoro-2-(4-fluoroanilino)benzenecarbothioamide
SMILESNC(=S)c1cc(F)ccc1Nc1ccc(F)cc1
InChIInChI=1S/C13H10F2N2S/c14-8-1-4-10(5-2-8)17-12-6-3-9(15)7-11(12)13(16)18/h1-7,17H,(H2,16,18)
InChIKeyASKYWNJBRZRMGH-UHFFFAOYSA-N
XLogP3.34
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-bromo-4-fluoroanilino)-5-fluorobenzenecarbothioamide
CID 63672844
2-(3-chloro-4-methoxyanilino)-5-fluorobenzenecarbothioamide
CID 63674872
5-fluoro-2-(2,3,5,6-tetrafluoroanilino)benzenecarbothioamide
CID 107644909
2-(2-bromo-4-chloroanilino)-5-fluorobenzenecarbothioamide
CID 81270250
2-(3-bromo-2-methylanilino)-5-fluorobenzenecarbothioamide
CID 107635471
2-(tert-butylamino)-5-fluorobenzenecarbothioamide
CID 63672652
2-(2-bromo-4-fluoroanilino)-5-chlorobenzenecarbothioamide
CID 63519582
5-chloro-2-(5-fluoro-2-methylanilino)benzenecarbothioamide
CID 63519745
5-fluoro-2-[(4-fluorophenyl)sulfonylamino]benzenecarbothioamide
CID 82683778
2-(4-fluoro-3-methylanilino)-5-methylbenzenecarbothioamide
CID 107928920
N-(2-carbamothioyl-4-fluorophenyl)-5-fluoro-2-hydroxybenzamide
CID 82683463
2-anilino-5-bromobenzenecarbothioamide
CID 114891111

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(4-fluoroanilino)benzenecarbothioamide?
The IUPAC name of 5-fluoro-2-(4-fluoroanilino)benzenecarbothioamide (CID 55233894) is 5-fluoro-2-(4-fluoroanilino)benzenecarbothioamide.
What is the SMILES notation for 5-fluoro-2-(4-fluoroanilino)benzenecarbothioamide?
The canonical SMILES for 5-fluoro-2-(4-fluoroanilino)benzenecarbothioamide is NC(=S)c1cc(F)ccc1Nc1ccc(F)cc1.
What is the InChIKey of 5-fluoro-2-(4-fluoroanilino)benzenecarbothioamide?
The InChIKey is ASKYWNJBRZRMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2S/c14-8-1-4-10(5-2-8)17-12-6-3-9(15)7-11(12)13(16)18/h1-7,17H,(H2,16,18).
What are the key properties of 5-fluoro-2-(4-fluoroanilino)benzenecarbothioamide?
5-fluoro-2-(4-fluoroanilino)benzenecarbothioamide has a molecular weight of 264.30 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(4-fluoroanilino)benzenecarbothioamide is sourced from PubChem (CID 55233894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).