4-fluorobenzenecarbothioamide

C7H6FNS — CID 737223

IUPAC4-fluorobenzenecarbothioamide
SMILESNC(=S)c1ccc(F)cc1
InChIInChI=1S/C7H6FNS/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H2,9,10)
InChIKeyVQFOHZWOKJQOGO-UHFFFAOYSA-N
MW155.20 g/mol
LogP1.46
Rot. Bonds1

About 4-fluorobenzenecarbothioamide

4-fluorobenzenecarbothioamide (PubChem CID 737223) has the molecular formula C7H6FNS and a molecular weight of 155.20 g/mol. Its IUPAC name is 4-fluorobenzenecarbothioamide.

Molecular Properties

Compound Name4-fluorobenzenecarbothioamide
PubChem CID737223
Molecular FormulaC7H6FNS
Molecular Weight155.20 g/mol
Exact Mass155.02
IUPAC Name4-fluorobenzenecarbothioamide
SMILESNC(=S)c1ccc(F)cc1
InChIInChI=1S/C7H6FNS/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H2,9,10)
InChIKeyVQFOHZWOKJQOGO-UHFFFAOYSA-N
XLogP1.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Thiobenzamide
CID 683563
4-Fluorobenzylamine
CID 67326
4-Ethylbenzenecarbothioamide
CID 2525970
p-Fluorobenzyl isothiocyanate
CID 75963
2-Fluorobenzylamine
CID 66649
3-Fluorobenzylamine
CID 66853
3,4,5-Trifluorobenzylamine
CID 2777048
2-Phenylethanethioamide
CID 731368
3-Methylbenzenecarbothioamide
CID 736826
3-Fluorobenzyl isothiocyanate
CID 2737275
4-Methylbenzenecarbothioamide
CID 737209
2,6-Difluorobenzylamine
CID 123563

Frequently Asked Questions

What is the IUPAC name of 4-fluorobenzenecarbothioamide?
The IUPAC name of 4-fluorobenzenecarbothioamide (CID 737223) is 4-fluorobenzenecarbothioamide.
What is the SMILES notation for 4-fluorobenzenecarbothioamide?
The canonical SMILES for 4-fluorobenzenecarbothioamide is NC(=S)c1ccc(F)cc1.
What is the InChIKey of 4-fluorobenzenecarbothioamide?
The InChIKey is VQFOHZWOKJQOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FNS/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H2,9,10).
What are the key properties of 4-fluorobenzenecarbothioamide?
4-fluorobenzenecarbothioamide has a molecular weight of 155.20 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluorobenzenecarbothioamide is sourced from PubChem (CID 737223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).