6-bromo-3-fluoro-2-methoxybenzenethiol

C7H6BrFOS — CID 171005789

IUPAC6-bromo-3-fluoro-2-methoxybenzenethiol
SMILESCOc1c(F)ccc(Br)c1S
InChIInChI=1S/C7H6BrFOS/c1-10-6-5(9)3-2-4(8)7(6)11/h2-3,11H,1H3
InChIKeyVOTYKQNEXMZUPW-UHFFFAOYSA-N
MW237.09 g/mol
LogP2.89
Rot. Bonds1

About 6-bromo-3-fluoro-2-methoxybenzenethiol

6-bromo-3-fluoro-2-methoxybenzenethiol (PubChem CID 171005789) has the molecular formula C7H6BrFOS and a molecular weight of 237.09 g/mol. Its IUPAC name is 6-bromo-3-fluoro-2-methoxybenzenethiol.

Molecular Properties

Compound Name6-bromo-3-fluoro-2-methoxybenzenethiol
PubChem CID171005789
Molecular FormulaC7H6BrFOS
Molecular Weight237.09 g/mol
Exact Mass235.93
IUPAC Name6-bromo-3-fluoro-2-methoxybenzenethiol
SMILESCOc1c(F)ccc(Br)c1S
InChIInChI=1S/C7H6BrFOS/c1-10-6-5(9)3-2-4(8)7(6)11/h2-3,11H,1H3
InChIKeyVOTYKQNEXMZUPW-UHFFFAOYSA-N
XLogP2.89
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.09
LogP ≤ 52.89
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

3,6-dibromo-2-methoxybenzenethiol
CID 171002224
1-bromo-4-fluoro-2,3-dimethoxybenzene
CID 58420229
1-bromo-2,4-difluoro-3-methoxybenzene
CID 18371109
1-bromo-4-fluoro-3-methoxy-2-(trifluoromethyl)benzene
CID 131371820
6-bromo-2-fluoro-3-methoxybenzenethiol
CID 171005747
3-(6-bromo-3-fluoro-2-methoxyphenyl)propan-1-amine
CID 83902095
1-bromo-4-fluoro-2-methoxy-3-propan-2-yloxybenzene
CID 155293778
1-(6-bromo-3-fluoro-2-methoxyphenyl)ethanol
CID 84706864
1,4-dibromo-2,3-dimethoxybenzene
CID 15784959
1-bromo-4-fluoro-2-methoxy-3-(methoxymethyl)benzene
CID 166159524
ethyl 6-bromo-3-fluoro-2-methoxybenzoate
CID 171010405
(2-bromo-4-fluoro-3-methoxyphenyl)methanol
CID 131627994

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-fluoro-2-methoxybenzenethiol?
The IUPAC name of 6-bromo-3-fluoro-2-methoxybenzenethiol (CID 171005789) is 6-bromo-3-fluoro-2-methoxybenzenethiol.
What is the SMILES notation for 6-bromo-3-fluoro-2-methoxybenzenethiol?
The canonical SMILES for 6-bromo-3-fluoro-2-methoxybenzenethiol is COc1c(F)ccc(Br)c1S.
What is the InChIKey of 6-bromo-3-fluoro-2-methoxybenzenethiol?
The InChIKey is VOTYKQNEXMZUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrFOS/c1-10-6-5(9)3-2-4(8)7(6)11/h2-3,11H,1H3.
What are the key properties of 6-bromo-3-fluoro-2-methoxybenzenethiol?
6-bromo-3-fluoro-2-methoxybenzenethiol has a molecular weight of 237.09 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-fluoro-2-methoxybenzenethiol is sourced from PubChem (CID 171005789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).