1-bromo-2-(difluoromethylsulfanyl)benzene

C7H5BrF2S — CID 70519919

IUPAC1-bromo-2-(difluoromethylsulfanyl)benzene
SMILESFC(F)Sc1ccccc1Br
InChIInChI=1S/C7H5BrF2S/c8-5-3-1-2-4-6(5)11-7(9)10/h1-4,7H
InChIKeyBVYVMPQFPWJVTE-UHFFFAOYSA-N
MW239.08 g/mol
LogP3.76
Rot. Bonds2

About 1-bromo-2-(difluoromethylsulfanyl)benzene

1-bromo-2-(difluoromethylsulfanyl)benzene (PubChem CID 70519919) has the molecular formula C7H5BrF2S and a molecular weight of 239.08 g/mol. Its IUPAC name is 1-bromo-2-(difluoromethylsulfanyl)benzene.

Molecular Properties

Compound Name1-bromo-2-(difluoromethylsulfanyl)benzene
PubChem CID70519919
Molecular FormulaC7H5BrF2S
Molecular Weight239.08 g/mol
Exact Mass237.93
IUPAC Name1-bromo-2-(difluoromethylsulfanyl)benzene
SMILESFC(F)Sc1ccccc1Br
InChIInChI=1S/C7H5BrF2S/c8-5-3-1-2-4-6(5)11-7(9)10/h1-4,7H
InChIKeyBVYVMPQFPWJVTE-UHFFFAOYSA-N
XLogP3.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.08
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Bromobenzenethiol
CID 80598
4-Bromothioanisole
CID 66037
2-Bromothioanisole
CID 88166
4-(Trifluoromethylthio)bromobenzene
CID 736413
3-Bromothioanisole
CID 2735627
1-Bromo-2-methanesulfinylbenzene
CID 11074873
3-(2-Bromophenyl)sulfanyl-1,1,1-trifluoropropan-2-one
CID 66465410
Sulfide, p-bromophenyl chloromethyl
CID 214098
1-Bromo-3-[(trifluoromethyl)sulfanyl]benzene
CID 2736361
1-Bromo-2-(cyclopropylsulfanyl)benzene
CID 59570916
3-Bromo-2-fluorothioanisole
CID 57448064
Bromodifluoromethyl phenyl sulfide
CID 11322389

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(difluoromethylsulfanyl)benzene?
The IUPAC name of 1-bromo-2-(difluoromethylsulfanyl)benzene (CID 70519919) is 1-bromo-2-(difluoromethylsulfanyl)benzene.
What is the SMILES notation for 1-bromo-2-(difluoromethylsulfanyl)benzene?
The canonical SMILES for 1-bromo-2-(difluoromethylsulfanyl)benzene is FC(F)Sc1ccccc1Br.
What is the InChIKey of 1-bromo-2-(difluoromethylsulfanyl)benzene?
The InChIKey is BVYVMPQFPWJVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF2S/c8-5-3-1-2-4-6(5)11-7(9)10/h1-4,7H.
What are the key properties of 1-bromo-2-(difluoromethylsulfanyl)benzene?
1-bromo-2-(difluoromethylsulfanyl)benzene has a molecular weight of 239.08 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(difluoromethylsulfanyl)benzene is sourced from PubChem (CID 70519919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).