3,6-dibromo-2-fluorobenzenethiol

C6H3Br2FS — CID 59243863

IUPAC3,6-dibromo-2-fluorobenzenethiol
SMILESFc1c(Br)ccc(Br)c1S
InChIInChI=1S/C6H3Br2FS/c7-3-1-2-4(8)6(10)5(3)9/h1-2,10H
InChIKeyLDZZVIWAGFQLLO-UHFFFAOYSA-N
MW285.96 g/mol
LogP3.64
Rot. Bonds

About 3,6-dibromo-2-fluorobenzenethiol

3,6-dibromo-2-fluorobenzenethiol (PubChem CID 59243863) has the molecular formula C6H3Br2FS and a molecular weight of 285.96 g/mol. Its IUPAC name is 3,6-dibromo-2-fluorobenzenethiol.

Molecular Properties

Compound Name3,6-dibromo-2-fluorobenzenethiol
PubChem CID59243863
Molecular FormulaC6H3Br2FS
Molecular Weight285.96 g/mol
Exact Mass283.83
IUPAC Name3,6-dibromo-2-fluorobenzenethiol
SMILESFc1c(Br)ccc(Br)c1S
InChIInChI=1S/C6H3Br2FS/c7-3-1-2-4(8)6(10)5(3)9/h1-2,10H
InChIKeyLDZZVIWAGFQLLO-UHFFFAOYSA-N
XLogP3.64
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.96
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,6-dibromo-2-fluorobenzenethiol?
The IUPAC name of 3,6-dibromo-2-fluorobenzenethiol (CID 59243863) is 3,6-dibromo-2-fluorobenzenethiol.
What is the SMILES notation for 3,6-dibromo-2-fluorobenzenethiol?
The canonical SMILES for 3,6-dibromo-2-fluorobenzenethiol is Fc1c(Br)ccc(Br)c1S.
What is the InChIKey of 3,6-dibromo-2-fluorobenzenethiol?
The InChIKey is LDZZVIWAGFQLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Br2FS/c7-3-1-2-4(8)6(10)5(3)9/h1-2,10H.
What are the key properties of 3,6-dibromo-2-fluorobenzenethiol?
3,6-dibromo-2-fluorobenzenethiol has a molecular weight of 285.96 g/mol, XLogP of 3.64, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dibromo-2-fluorobenzenethiol is sourced from PubChem (CID 59243863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).