(3-fluorophenyl) thiohypobromite

C6H4BrFS — CID 173469120

IUPAC(3-fluorophenyl) thiohypobromite
SMILESFc1cccc(SBr)c1
InChIInChI=1S/C6H4BrFS/c7-9-6-3-1-2-5(8)4-6/h1-4H
InChIKeyXRSUWXXMFJKAQQ-UHFFFAOYSA-N
MW207.07 g/mol
LogP3.23
Rot. Bonds1

About (3-fluorophenyl) thiohypobromite

(3-fluorophenyl) thiohypobromite (PubChem CID 173469120) has the molecular formula C6H4BrFS and a molecular weight of 207.07 g/mol. Its IUPAC name is (3-fluorophenyl) thiohypobromite.

Molecular Properties

Compound Name(3-fluorophenyl) thiohypobromite
PubChem CID173469120
Molecular FormulaC6H4BrFS
Molecular Weight207.07 g/mol
Exact Mass205.92
IUPAC Name(3-fluorophenyl) thiohypobromite
SMILESFc1cccc(SBr)c1
InChIInChI=1S/C6H4BrFS/c7-9-6-3-1-2-5(8)4-6/h1-4H
InChIKeyXRSUWXXMFJKAQQ-UHFFFAOYSA-N
XLogP3.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.07
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-fluorophenyl)sulfanylmethanimine
CID 145451956
1-fluoro-3-[(3-fluorophenyl)methylsulfanyl]benzene
CID 91656520
4-(3-fluorophenyl)sulfanylphenol
CID 91875611
[1-(3-fluorophenyl)sulfanylcyclopropyl]methanamine
CID 66071413
1-fluoro-3-prop-2-enylsulfanylbenzene
CID 91656198
1,3-difluorobenzene;1,4-difluorobenzene
CID 159873588
3-(3-fluorophenyl)sulfanylpropan-1-amine
CID 70244905
1-butan-2-ylsulfanyl-3-fluorobenzene
CID 131103530
1,3-difluorobenzene;methanol
CID 144994633
1,2-difluoro-4-[(3-fluorophenyl)sulfanylmethyl]benzene
CID 91657909
1-chloro-4-[(3-fluorophenyl)sulfanylmethyl]benzene
CID 91657412
(2R)-1-(3-fluorophenyl)sulfanylpropan-2-amine
CID 104889284

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl) thiohypobromite?
The IUPAC name of (3-fluorophenyl) thiohypobromite (CID 173469120) is (3-fluorophenyl) thiohypobromite.
What is the SMILES notation for (3-fluorophenyl) thiohypobromite?
The canonical SMILES for (3-fluorophenyl) thiohypobromite is Fc1cccc(SBr)c1.
What is the InChIKey of (3-fluorophenyl) thiohypobromite?
The InChIKey is XRSUWXXMFJKAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrFS/c7-9-6-3-1-2-5(8)4-6/h1-4H.
What are the key properties of (3-fluorophenyl) thiohypobromite?
(3-fluorophenyl) thiohypobromite has a molecular weight of 207.07 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl) thiohypobromite is sourced from PubChem (CID 173469120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).