6-bromo-2-fluoro-3-methoxybenzenethiol

C7H6BrFOS — CID 171005747

IUPAC6-bromo-2-fluoro-3-methoxybenzenethiol
SMILESCOc1ccc(Br)c(S)c1F
InChIInChI=1S/C7H6BrFOS/c1-10-5-3-2-4(8)7(11)6(5)9/h2-3,11H,1H3
InChIKeyBDEXPDJAAMJPFI-UHFFFAOYSA-N
MW237.09 g/mol
LogP2.89
Rot. Bonds1

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

6-bromo-2-fluoro-3-methoxybenzenethiol (PubChem CID 171005747) has the molecular formula C7H6BrFOS and a molecular weight of 237.09 g/mol. Its IUPAC name is 6-bromo-2-fluoro-3-methoxybenzenethiol.

Molecular Properties

Compound Name6-bromo-2-fluoro-3-methoxybenzenethiol
PubChem CID171005747
Molecular FormulaC7H6BrFOS
Molecular Weight237.09 g/mol
Exact Mass235.93
IUPAC Name6-bromo-2-fluoro-3-methoxybenzenethiol
SMILESCOc1ccc(Br)c(S)c1F
InChIInChI=1S/C7H6BrFOS/c1-10-5-3-2-4(8)7(11)6(5)9/h2-3,11H,1H3
InChIKeyBDEXPDJAAMJPFI-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'}

Analyze 6-bromo-2-fluoro-3-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

6-bromo-3-fluoro-2-methoxybenzenethiol
CID 171005789
1-bromo-2-ethoxy-3-fluoro-4-methoxybenzene
CID 171000857
3,6-dibromo-2-methoxybenzenethiol
CID 171002224
methyl 6-bromo-2-fluoro-3-methoxybenzoate
CID 67053695
2-fluoro-3,4-dimethoxybenzenethiol
CID 130971498
2-(6-bromo-2-fluoro-3-methoxyphenyl)-1,1,1-trifluoropropan-2-ol
CID 171366026
1-(6-bromo-2-fluoro-3-methoxyphenyl)-2,2-difluoroethanone
CID 164894872
1-bromo-2-fluoro-4-methoxy-3-propan-2-yloxybenzene
CID 125116564
1-bromo-2-(2,4-difluorophenyl)-3-fluoro-4-methoxybenzene
CID 118898127
2-(3-bromo-2-fluoro-6-methoxyphenyl)ethanol
CID 117375122
(6-bromo-2-fluoro-3-methoxyphenyl)methyl methanesulfonate
CID 165130854
sodium;2-(6-bromo-2-fluoro-3-methoxyphenyl)acetonitrile;cyanide
CID 175978714

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-fluoro-3-methoxybenzenethiol?
The IUPAC name of 6-bromo-2-fluoro-3-methoxybenzenethiol (CID 171005747) is 6-bromo-2-fluoro-3-methoxybenzenethiol.
What is the SMILES notation for 6-bromo-2-fluoro-3-methoxybenzenethiol?
The canonical SMILES for 6-bromo-2-fluoro-3-methoxybenzenethiol is COc1ccc(Br)c(S)c1F.
What is the InChIKey of 6-bromo-2-fluoro-3-methoxybenzenethiol?
The InChIKey is BDEXPDJAAMJPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrFOS/c1-10-5-3-2-4(8)7(11)6(5)9/h2-3,11H,1H3.
What are the key properties of 6-bromo-2-fluoro-3-methoxybenzenethiol?
6-bromo-2-fluoro-3-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-2-fluoro-3-methoxybenzenethiol is sourced from PubChem (CID 171005747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).