4-amino-3-fluorobenzenethiol

C6H6FNS — CID 14517551

IUPAC4-amino-3-fluorobenzenethiol
SMILESNc1ccc(S)cc1F
InChIInChI=1S/C6H6FNS/c7-5-3-4(9)1-2-6(5)8/h1-3,9H,8H2
InChIKeyMAOWDGRYXPTHRM-UHFFFAOYSA-N
MW143.19 g/mol
LogP1.70
Rot. Bonds

About 4-amino-3-fluorobenzenethiol

4-amino-3-fluorobenzenethiol (PubChem CID 14517551) has the molecular formula C6H6FNS and a molecular weight of 143.19 g/mol. Its IUPAC name is 4-amino-3-fluorobenzenethiol.

Molecular Properties

Compound Name4-amino-3-fluorobenzenethiol
PubChem CID14517551
Molecular FormulaC6H6FNS
Molecular Weight143.19 g/mol
Exact Mass143.02
IUPAC Name4-amino-3-fluorobenzenethiol
SMILESNc1ccc(S)cc1F
InChIInChI=1S/C6H6FNS/c7-5-3-4(9)1-2-6(5)8/h1-3,9H,8H2
InChIKeyMAOWDGRYXPTHRM-UHFFFAOYSA-N
XLogP1.70
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-fluorobenzenethiol?
The IUPAC name of 4-amino-3-fluorobenzenethiol (CID 14517551) is 4-amino-3-fluorobenzenethiol.
What is the SMILES notation for 4-amino-3-fluorobenzenethiol?
The canonical SMILES for 4-amino-3-fluorobenzenethiol is Nc1ccc(S)cc1F.
What is the InChIKey of 4-amino-3-fluorobenzenethiol?
The InChIKey is MAOWDGRYXPTHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FNS/c7-5-3-4(9)1-2-6(5)8/h1-3,9H,8H2.
What are the key properties of 4-amino-3-fluorobenzenethiol?
4-amino-3-fluorobenzenethiol has a molecular weight of 143.19 g/mol, XLogP of 1.70, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-fluorobenzenethiol is sourced from PubChem (CID 14517551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).