4-amino-3-fluoro-5-methoxybenzenethiol

C7H8FNOS — CID 91874654

IUPAC4-amino-3-fluoro-5-methoxybenzenethiol
SMILESCOc1cc(S)cc(F)c1N
InChIInChI=1S/C7H8FNOS/c1-10-6-3-4(11)2-5(8)7(6)9/h2-3,11H,9H2,1H3
InChIKeyWOOPWRZFGSGZJJ-UHFFFAOYSA-N
MW173.21 g/mol
LogP1.71
Rot. Bonds1

About 4-amino-3-fluoro-5-methoxybenzenethiol

4-amino-3-fluoro-5-methoxybenzenethiol (PubChem CID 91874654) has the molecular formula C7H8FNOS and a molecular weight of 173.21 g/mol. Its IUPAC name is 4-amino-3-fluoro-5-methoxybenzenethiol.

Molecular Properties

Compound Name4-amino-3-fluoro-5-methoxybenzenethiol
PubChem CID91874654
Molecular FormulaC7H8FNOS
Molecular Weight173.21 g/mol
Exact Mass173.03
IUPAC Name4-amino-3-fluoro-5-methoxybenzenethiol
SMILESCOc1cc(S)cc(F)c1N
InChIInChI=1S/C7H8FNOS/c1-10-6-3-4(11)2-5(8)7(6)9/h2-3,11H,9H2,1H3
InChIKeyWOOPWRZFGSGZJJ-UHFFFAOYSA-N
XLogP1.71
TPSA35.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-amino-3-fluoro-5-methoxybenzenethiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-difluoro-4-methoxybenzenethiol
CID 50998081
2-chloro-3,6-difluoro-4-methoxyaniline
CID 106701641
2-bromo-3,6-difluoro-4-methoxyaniline
CID 106701642
4-[4-(dimethylamino)phenyl]-2-fluoro-6-methoxyaniline
CID 174997411
(4-amino-3-fluoro-5-methoxyphenyl)methylphosphonic acid
CID 67480070
3,4,6-trimethoxybenzene-1,2-diamine
CID 14975826
2,4-difluoro-6-(2-methoxyphenoxy)aniline
CID 115507261
1,2-difluoro-4,5-dimethoxybenzene
CID 853175
2-fluoro-6-methoxy-4-(4-methylpiperidin-1-yl)aniline
CID 166463434
CID 89046484
CID 89046484
4-chloro-2,3-difluoro-6-methoxyaniline
CID 170781389
2,5-difluoro-4-methoxyaniline
CID 45090681

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-fluoro-5-methoxybenzenethiol?
The IUPAC name of 4-amino-3-fluoro-5-methoxybenzenethiol (CID 91874654) is 4-amino-3-fluoro-5-methoxybenzenethiol.
What is the SMILES notation for 4-amino-3-fluoro-5-methoxybenzenethiol?
The canonical SMILES for 4-amino-3-fluoro-5-methoxybenzenethiol is COc1cc(S)cc(F)c1N.
What is the InChIKey of 4-amino-3-fluoro-5-methoxybenzenethiol?
The InChIKey is WOOPWRZFGSGZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNOS/c1-10-6-3-4(11)2-5(8)7(6)9/h2-3,11H,9H2,1H3.
What are the key properties of 4-amino-3-fluoro-5-methoxybenzenethiol?
4-amino-3-fluoro-5-methoxybenzenethiol has a molecular weight of 173.21 g/mol, XLogP of 1.71, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-fluoro-5-methoxybenzenethiol is sourced from PubChem (CID 91874654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).