2-fluoro-3,4-dimethoxybenzenethiol

C8H9FO2S — CID 130971498

IUPAC2-fluoro-3,4-dimethoxybenzenethiol
SMILESCOc1ccc(S)c(F)c1OC
InChIInChI=1S/C8H9FO2S/c1-10-5-3-4-6(12)7(9)8(5)11-2/h3-4,12H,1-2H3
InChIKeyNROQYKWXVYBUTC-UHFFFAOYSA-N
MW188.22 g/mol
LogP2.13
Rot. Bonds2

About 2-fluoro-3,4-dimethoxybenzenethiol

2-fluoro-3,4-dimethoxybenzenethiol (PubChem CID 130971498) has the molecular formula C8H9FO2S and a molecular weight of 188.22 g/mol. Its IUPAC name is 2-fluoro-3,4-dimethoxybenzenethiol.

Molecular Properties

Compound Name2-fluoro-3,4-dimethoxybenzenethiol
PubChem CID130971498
Molecular FormulaC8H9FO2S
Molecular Weight188.22 g/mol
Exact Mass188.03
IUPAC Name2-fluoro-3,4-dimethoxybenzenethiol
SMILESCOc1ccc(S)c(F)c1OC
InChIInChI=1S/C8H9FO2S/c1-10-5-3-4-6(12)7(9)8(5)11-2/h3-4,12H,1-2H3
InChIKeyNROQYKWXVYBUTC-UHFFFAOYSA-N
XLogP2.13
TPSA18.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,2-difluoro-3,4-dimethoxybenzene
CID 67100030
3-fluoro-1,2-dimethoxy-4-methylsulfanylbenzene
CID 130784452
2-fluoro-6-methoxy-3-sulfanylbenzonitrile
CID 171022670
3-fluoro-1,2-dimethoxy-4-prop-2-enylbenzene
CID 13487722
6-bromo-2-fluoro-3-methoxybenzenethiol
CID 171005747
4-methoxynaphthalene-1,6-dithiol
CID 23290288
2-fluoro-3,4-dimethoxybenzoyl chloride
CID 130787078
2-fluoro-3,4-dimethoxybenzenesulfonyl chloride
CID 84708317
4-fluoro-2-methoxybenzenethiol
CID 22139691
2-(2-fluoro-3,4-dimethoxyphenyl)-2-oxoacetic acid
CID 117328183
1-(2-fluoro-3,4-dimethoxyphenyl)-2-methylpropan-2-amine
CID 117327193
1-(2-fluoro-3,4-dimethoxyphenyl)propan-2-ol
CID 117305462

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3,4-dimethoxybenzenethiol?
The IUPAC name of 2-fluoro-3,4-dimethoxybenzenethiol (CID 130971498) is 2-fluoro-3,4-dimethoxybenzenethiol.
What is the SMILES notation for 2-fluoro-3,4-dimethoxybenzenethiol?
The canonical SMILES for 2-fluoro-3,4-dimethoxybenzenethiol is COc1ccc(S)c(F)c1OC.
What is the InChIKey of 2-fluoro-3,4-dimethoxybenzenethiol?
The InChIKey is NROQYKWXVYBUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FO2S/c1-10-5-3-4-6(12)7(9)8(5)11-2/h3-4,12H,1-2H3.
What are the key properties of 2-fluoro-3,4-dimethoxybenzenethiol?
2-fluoro-3,4-dimethoxybenzenethiol has a molecular weight of 188.22 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3,4-dimethoxybenzenethiol is sourced from PubChem (CID 130971498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).