4-fluoro-2-methoxybenzenethiol

C7H7FOS — CID 22139691

IUPAC4-fluoro-2-methoxybenzenethiol
SMILESCOc1cc(F)ccc1S
InChIInChI=1S/C7H7FOS/c1-9-6-4-5(8)2-3-7(6)10/h2-4,10H,1H3
InChIKeyZQZQPQBXQIUSOT-UHFFFAOYSA-N
MW158.20 g/mol
LogP2.12
Rot. Bonds1

About 4-fluoro-2-methoxybenzenethiol

4-fluoro-2-methoxybenzenethiol (PubChem CID 22139691) has the molecular formula C7H7FOS and a molecular weight of 158.20 g/mol. Its IUPAC name is 4-fluoro-2-methoxybenzenethiol.

Molecular Properties

Compound Name4-fluoro-2-methoxybenzenethiol
PubChem CID22139691
Molecular FormulaC7H7FOS
Molecular Weight158.20 g/mol
Exact Mass158.02
IUPAC Name4-fluoro-2-methoxybenzenethiol
SMILESCOc1cc(F)ccc1S
InChIInChI=1S/C7H7FOS/c1-9-6-4-5(8)2-3-7(6)10/h2-4,10H,1H3
InChIKeyZQZQPQBXQIUSOT-UHFFFAOYSA-N
XLogP2.12
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methoxybenzene-1,4-dithiol
CID 91874397
(5-fluoro-2-methoxyphenyl)methanethiol
CID 24688819
2-methoxybenzenethiol;sulfane
CID 141393821
4-fluoro-1-methoxy-2-[(2-methylpropan-2-yl)oxy]benzene
CID 53484257
3-methoxy-4-sulfanylbenzonitrile
CID 4713200
4-fluoro-1-methoxy-2-propan-2-yloxybenzene
CID 126993061
4-fluoro-2-methoxy-1-(trifluoromethoxy)benzene
CID 131171208
4-fluoro-2-methoxybenzaldehyde
CID 2774537
4-(18F)fluoro-2-methoxy(18F)benzaldehyde
CID 14816736
(5-fluoro-2-methoxyphenyl)borane
CID 3475822
1,2-bis(4-fluorophenyl)-4,5-dimethoxybenzene
CID 118497324
2-ethyl-4-fluorobenzenethiol
CID 91874071

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methoxybenzenethiol?
The IUPAC name of 4-fluoro-2-methoxybenzenethiol (CID 22139691) is 4-fluoro-2-methoxybenzenethiol.
What is the SMILES notation for 4-fluoro-2-methoxybenzenethiol?
The canonical SMILES for 4-fluoro-2-methoxybenzenethiol is COc1cc(F)ccc1S.
What is the InChIKey of 4-fluoro-2-methoxybenzenethiol?
The InChIKey is ZQZQPQBXQIUSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FOS/c1-9-6-4-5(8)2-3-7(6)10/h2-4,10H,1H3.
What are the key properties of 4-fluoro-2-methoxybenzenethiol?
4-fluoro-2-methoxybenzenethiol has a molecular weight of 158.20 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methoxybenzenethiol is sourced from PubChem (CID 22139691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).