2-fluoro-4,6-dimethoxybenzenethiol

C8H9FO2S — CID 91874712

IUPAC2-fluoro-4,6-dimethoxybenzenethiol
SMILESCOc1cc(F)c(S)c(OC)c1
InChIInChI=1S/C8H9FO2S/c1-10-5-3-6(9)8(12)7(4-5)11-2/h3-4,12H,1-2H3
InChIKeyVTWUOXULOGPBSO-UHFFFAOYSA-N
MW188.22 g/mol
LogP2.13
Rot. Bonds2

About 2-fluoro-4,6-dimethoxybenzenethiol

2-fluoro-4,6-dimethoxybenzenethiol (PubChem CID 91874712) has the molecular formula C8H9FO2S and a molecular weight of 188.22 g/mol. Its IUPAC name is 2-fluoro-4,6-dimethoxybenzenethiol.

Molecular Properties

Compound Name2-fluoro-4,6-dimethoxybenzenethiol
PubChem CID91874712
Molecular FormulaC8H9FO2S
Molecular Weight188.22 g/mol
Exact Mass188.03
IUPAC Name2-fluoro-4,6-dimethoxybenzenethiol
SMILESCOc1cc(F)c(S)c(OC)c1
InChIInChI=1S/C8H9FO2S/c1-10-5-3-6(9)8(12)7(4-5)11-2/h3-4,12H,1-2H3
InChIKeyVTWUOXULOGPBSO-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-fluoro-3,5-dimethoxy-2-methylbenzene
CID 22970635
1-fluoro-2,3,5-trimethoxybenzene
CID 151392889
1-fluoro-3,5-dimethoxy-2-nitrobenzene
CID 71490874
2-(2,6-difluorophenyl)-1,3,5-trimethoxybenzene
CID 175990083
1,2,3,4,5-pentafluoro-6-(2,4,6-trimethoxyphenyl)benzene
CID 102431568
1,2-difluoro-4,5-dimethoxybenzene
CID 853175
2-(1,1-difluoroethyl)-1,3,5-trimethoxybenzene
CID 116841570
1-(2-fluoro-4,6-dimethoxyphenyl)cyclopentan-1-amine
CID 84799753
2-acetyloxy-6-fluoro-4-methoxybenzoic acid
CID 18183431
1-(2-fluoro-4,6-dimethoxyphenyl)cyclopropane-1-carbonitrile
CID 84787805
1-(2-fluoro-4,6-dimethoxyphenyl)cyclohexan-1-amine
CID 117386080
ethyl 2-fluoro-4,6-dimethoxybenzoate
CID 134644513

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4,6-dimethoxybenzenethiol?
The IUPAC name of 2-fluoro-4,6-dimethoxybenzenethiol (CID 91874712) is 2-fluoro-4,6-dimethoxybenzenethiol.
What is the SMILES notation for 2-fluoro-4,6-dimethoxybenzenethiol?
The canonical SMILES for 2-fluoro-4,6-dimethoxybenzenethiol is COc1cc(F)c(S)c(OC)c1.
What is the InChIKey of 2-fluoro-4,6-dimethoxybenzenethiol?
The InChIKey is VTWUOXULOGPBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FO2S/c1-10-5-3-6(9)8(12)7(4-5)11-2/h3-4,12H,1-2H3.
What are the key properties of 2-fluoro-4,6-dimethoxybenzenethiol?
2-fluoro-4,6-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-4,6-dimethoxybenzenethiol is sourced from PubChem (CID 91874712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).