5-ethanethioyl-2-fluorobenzamide

C9H8FNOS — CID 143472419

IUPAC5-ethanethioyl-2-fluorobenzamide
SMILESCC(=S)c1ccc(F)c(C(N)=O)c1
InChIInChI=1S/C9H8FNOS/c1-5(13)6-2-3-8(10)7(4-6)9(11)12/h2-4H,1H3,(H2,11,12)
InChIKeyRILRDMHZVYHPHC-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.66
Rot. Bonds2

About 5-ethanethioyl-2-fluorobenzamide

5-ethanethioyl-2-fluorobenzamide (PubChem CID 143472419) has the molecular formula C9H8FNOS and a molecular weight of 197.23 g/mol. Its IUPAC name is 5-ethanethioyl-2-fluorobenzamide.

Molecular Properties

Compound Name5-ethanethioyl-2-fluorobenzamide
PubChem CID143472419
Molecular FormulaC9H8FNOS
Molecular Weight197.23 g/mol
Exact Mass197.03
IUPAC Name5-ethanethioyl-2-fluorobenzamide
SMILESCC(=S)c1ccc(F)c(C(N)=O)c1
InChIInChI=1S/C9H8FNOS/c1-5(13)6-2-3-8(10)7(4-6)9(11)12/h2-4H,1H3,(H2,11,12)
InChIKeyRILRDMHZVYHPHC-UHFFFAOYSA-N
XLogP1.66
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

5-buta-1,3-dien-2-yl-2-fluorobenzamide
CID 123226299
2-fluoro-5-hydroxybenzamide
CID 59402772
3-acetyl-N-(diaminomethylidene)-4-fluorobenzamide
CID 22078535
2-fluorobenzamide;dihydrochloride
CID 22563899
2-fluoro-5-(trifluoromethyl)benzamide;hydrobromide
CID 68534257
1-(2,5-difluorophenyl)ethanethione
CID 143795171
5-cyano-2-fluorobenzamide;hydrochloride
CID 165153570
3-acetamido-2,4-difluorobenzamide
CID 154632543
CID 90021894
CID 90021894
5-(3,4-dichlorophenyl)-2-fluorobenzamide
CID 134623243
2-fluoro-5-(3-fluorophenyl)benzamide
CID 46312277
phosphanyl 5-acetyl-2-fluorobenzoate
CID 21302444

Frequently Asked Questions

What is the IUPAC name of 5-ethanethioyl-2-fluorobenzamide?
The IUPAC name of 5-ethanethioyl-2-fluorobenzamide (CID 143472419) is 5-ethanethioyl-2-fluorobenzamide.
What is the SMILES notation for 5-ethanethioyl-2-fluorobenzamide?
The canonical SMILES for 5-ethanethioyl-2-fluorobenzamide is CC(=S)c1ccc(F)c(C(N)=O)c1.
What is the InChIKey of 5-ethanethioyl-2-fluorobenzamide?
The InChIKey is RILRDMHZVYHPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNOS/c1-5(13)6-2-3-8(10)7(4-6)9(11)12/h2-4H,1H3,(H2,11,12).
What are the key properties of 5-ethanethioyl-2-fluorobenzamide?
5-ethanethioyl-2-fluorobenzamide has a molecular weight of 197.23 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethanethioyl-2-fluorobenzamide is sourced from PubChem (CID 143472419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).