1-bromo-2-fluoro-5-methyl-4-methylsulfanylbenzene

C8H8BrFS — CID 67469729

IUPAC1-bromo-2-fluoro-5-methyl-4-methylsulfanylbenzene
SMILESCSc1cc(F)c(Br)cc1C
InChIInChI=1S/C8H8BrFS/c1-5-3-6(9)7(10)4-8(5)11-2/h3-4H,1-2H3
InChIKeyQEMQNUCABDRWAQ-UHFFFAOYSA-N
MW235.12 g/mol
LogP3.62
Rot. Bonds1

About 1-bromo-2-fluoro-5-methyl-4-methylsulfanylbenzene

1-bromo-2-fluoro-5-methyl-4-methylsulfanylbenzene (PubChem CID 67469729) has the molecular formula C8H8BrFS and a molecular weight of 235.12 g/mol. Its IUPAC name is 1-bromo-2-fluoro-5-methyl-4-methylsulfanylbenzene.

Molecular Properties

Compound Name1-bromo-2-fluoro-5-methyl-4-methylsulfanylbenzene
PubChem CID67469729
Molecular FormulaC8H8BrFS
Molecular Weight235.12 g/mol
Exact Mass233.95
IUPAC Name1-bromo-2-fluoro-5-methyl-4-methylsulfanylbenzene
SMILESCSc1cc(F)c(Br)cc1C
InChIInChI=1S/C8H8BrFS/c1-5-3-6(9)7(10)4-8(5)11-2/h3-4H,1-2H3
InChIKeyQEMQNUCABDRWAQ-UHFFFAOYSA-N
XLogP3.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.12
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-bromo-2-fluoro-5-methyl-4-methylsulfanylbenzene 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

4-Bromo-2-methylbenzenethiol
CID 19921798
(4-Bromo-2,3-dimethylphenyl)(methyl)sulfane
CID 18757276
5-Bromo-2,3-dihydro-1-benzothiophene
CID 12341513
6-bromo-3,4-dihydro-2H-1-benzothiopyran
CID 19702076
7-Bromo-2,3,4,5-tetrahydro-1-benzothiepin
CID 19935454
1-Bromo-2-propylsulfanyl-3-(trifluoromethyl)benzene
CID 146167337
4-Bromophenyl 4-fluorobenzyl sulfide
CID 4180733
3-Bromo-5-trifluoromethylthioanisole
CID 46738946
4-Bromo-2-(chloromethyl)-1-(methylsulfanyl)benzene
CID 165647397
4-Bromo-2-ethenyl-1-propan-2-ylsulfanylbenzene
CID 89418851
5-bromobenzothiophene S-oxide
CID 123325693
1-Bromo-4-methylthio-3-trifluorovinylbenzene
CID 622874

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-fluoro-5-methyl-4-methylsulfanylbenzene?
The IUPAC name of 1-bromo-2-fluoro-5-methyl-4-methylsulfanylbenzene (CID 67469729) is 1-bromo-2-fluoro-5-methyl-4-methylsulfanylbenzene.
What is the SMILES notation for 1-bromo-2-fluoro-5-methyl-4-methylsulfanylbenzene?
The canonical SMILES for 1-bromo-2-fluoro-5-methyl-4-methylsulfanylbenzene is CSc1cc(F)c(Br)cc1C.
What is the InChIKey of 1-bromo-2-fluoro-5-methyl-4-methylsulfanylbenzene?
The InChIKey is QEMQNUCABDRWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrFS/c1-5-3-6(9)7(10)4-8(5)11-2/h3-4H,1-2H3.
What are the key properties of 1-bromo-2-fluoro-5-methyl-4-methylsulfanylbenzene?
1-bromo-2-fluoro-5-methyl-4-methylsulfanylbenzene has a molecular weight of 235.12 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-fluoro-5-methyl-4-methylsulfanylbenzene is sourced from PubChem (CID 67469729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).