2-bromo-4-fluoro-5-methoxybenzenethiol

C7H6BrFOS — CID 171006071

IUPAC2-bromo-4-fluoro-5-methoxybenzenethiol
SMILESCOc1cc(S)c(Br)cc1F
InChIInChI=1S/C7H6BrFOS/c1-10-6-3-7(11)4(8)2-5(6)9/h2-3,11H,1H3
InChIKeyGCHMRSZHNWCNBE-UHFFFAOYSA-N
MW237.09 g/mol
LogP2.89
Rot. Bonds1

About 2-bromo-4-fluoro-5-methoxybenzenethiol

2-bromo-4-fluoro-5-methoxybenzenethiol (PubChem CID 171006071) has the molecular formula C7H6BrFOS and a molecular weight of 237.09 g/mol. Its IUPAC name is 2-bromo-4-fluoro-5-methoxybenzenethiol.

Molecular Properties

Compound Name2-bromo-4-fluoro-5-methoxybenzenethiol
PubChem CID171006071
Molecular FormulaC7H6BrFOS
Molecular Weight237.09 g/mol
Exact Mass235.93
IUPAC Name2-bromo-4-fluoro-5-methoxybenzenethiol
SMILESCOc1cc(S)c(Br)cc1F
InChIInChI=1S/C7H6BrFOS/c1-10-6-3-7(11)4(8)2-5(6)9/h2-3,11H,1H3
InChIKeyGCHMRSZHNWCNBE-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

1-bromo-2,4-difluoro-5-methoxybenzene
CID 68809379
1-bromo-2,4-difluoro-5-methoxybenzene;1,5-dibromo-2,4-difluorobenzene
CID 160948339
1-(2-bromo-4-fluoro-5-methoxyphenyl)ethanone
CID 131613610
1-bromo-5-fluoro-2-methoxy-4-methylbenzene
CID 57022351
5-bromo-2,4-dimethoxybenzenethiol
CID 50989231
3-bromo-6-fluoro-5-methoxy-1-benzofuran
CID 130050439
1-bromo-4-ethyl-5-fluoro-2-methoxybenzene
CID 144671819
4-bromo-2-methoxy-5-methylbenzenethiol
CID 130137178
2-(2-bromo-5-fluoro-4-methoxyphenyl)acetonitrile
CID 19261417
1,2-difluoro-4,5-dimethoxybenzene
CID 853175
6-bromo-2-fluoro-3-methoxybenzenethiol
CID 171005747
2,5-difluoro-4-methoxyaniline
CID 45090681

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-5-methoxybenzenethiol?
The IUPAC name of 2-bromo-4-fluoro-5-methoxybenzenethiol (CID 171006071) is 2-bromo-4-fluoro-5-methoxybenzenethiol.
What is the SMILES notation for 2-bromo-4-fluoro-5-methoxybenzenethiol?
The canonical SMILES for 2-bromo-4-fluoro-5-methoxybenzenethiol is COc1cc(S)c(Br)cc1F.
What is the InChIKey of 2-bromo-4-fluoro-5-methoxybenzenethiol?
The InChIKey is GCHMRSZHNWCNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrFOS/c1-10-6-3-7(11)4(8)2-5(6)9/h2-3,11H,1H3.
What are the key properties of 2-bromo-4-fluoro-5-methoxybenzenethiol?
2-bromo-4-fluoro-5-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 2-bromo-4-fluoro-5-methoxybenzenethiol is sourced from PubChem (CID 171006071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).