2-fluoro-5-hydroxybenzenecarbothioamide

C7H6FNOS — CID 91875255

IUPAC2-fluoro-5-hydroxybenzenecarbothioamide
SMILESNC(=S)c1cc(O)ccc1F
InChIInChI=1S/C7H6FNOS/c8-6-2-1-4(10)3-5(6)7(9)11/h1-3,10H,(H2,9,11)
InChIKeyPESISSROYMEGQF-UHFFFAOYSA-N
MW171.20 g/mol
LogP1.17
Rot. Bonds1

About 2-fluoro-5-hydroxybenzenecarbothioamide

2-fluoro-5-hydroxybenzenecarbothioamide (PubChem CID 91875255) has the molecular formula C7H6FNOS and a molecular weight of 171.20 g/mol. Its IUPAC name is 2-fluoro-5-hydroxybenzenecarbothioamide.

Molecular Properties

Compound Name2-fluoro-5-hydroxybenzenecarbothioamide
PubChem CID91875255
Molecular FormulaC7H6FNOS
Molecular Weight171.20 g/mol
Exact Mass171.02
IUPAC Name2-fluoro-5-hydroxybenzenecarbothioamide
SMILESNC(=S)c1cc(O)ccc1F
InChIInChI=1S/C7H6FNOS/c8-6-2-1-4(10)3-5(6)7(9)11/h1-3,10H,(H2,9,11)
InChIKeyPESISSROYMEGQF-UHFFFAOYSA-N
XLogP1.17
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 51.17
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-fluoro-5-hydroxybenzamide
CID 59402772
2,4-difluorobenzenecarbothioamide
CID 2781868
(3-aminophenyl)-(2-fluoro-5-hydroxyphenyl)methanone
CID 10585593
2-fluoro-5-[(2,4,6-trichlorophenoxy)methyl]benzenecarbothioamide
CID 107879842
5-[(4-bromophenoxy)methyl]-2-fluorobenzenecarbothioamide
CID 107879742
4-amino-2-fluorobenzenecarbothioamide
CID 91875250
5-chloro-2-hydroxybenzenecarbothioamide
CID 135760562
5-(3,3-dimethylbutoxymethyl)-2-fluorobenzenecarbothioamide
CID 107879930
5-[(5-bromo-2-fluorophenoxy)methyl]-2-fluorobenzenecarbothioamide
CID 107879958
5-(1,3-dioxoisoindol-2-yl)-2-fluorobenzenecarbothioamide
CID 62316839
5-[(3,4-dimethylphenoxy)methyl]-2-fluorobenzenecarbothioamide
CID 107879747
5-[(4-chloro-2,6-dimethylphenoxy)methyl]-2-fluorobenzenecarbothioamide
CID 107879803

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-hydroxybenzenecarbothioamide?
The IUPAC name of 2-fluoro-5-hydroxybenzenecarbothioamide (CID 91875255) is 2-fluoro-5-hydroxybenzenecarbothioamide.
What is the SMILES notation for 2-fluoro-5-hydroxybenzenecarbothioamide?
The canonical SMILES for 2-fluoro-5-hydroxybenzenecarbothioamide is NC(=S)c1cc(O)ccc1F.
What is the InChIKey of 2-fluoro-5-hydroxybenzenecarbothioamide?
The InChIKey is PESISSROYMEGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FNOS/c8-6-2-1-4(10)3-5(6)7(9)11/h1-3,10H,(H2,9,11).
What are the key properties of 2-fluoro-5-hydroxybenzenecarbothioamide?
2-fluoro-5-hydroxybenzenecarbothioamide has a molecular weight of 171.20 g/mol, XLogP of 1.17, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-hydroxybenzenecarbothioamide is sourced from PubChem (CID 91875255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).