1-bromo-4-propylsulfanylbenzene;hydrofluoride

C9H12BrFS — CID 174332462

IUPAC1-bromo-4-propylsulfanylbenzene;hydrofluoride
SMILESCCCSc1ccc(Br)cc1.F
InChIInChI=1S/C9H11BrS.FH/c1-2-7-11-9-5-3-8(10)4-6-9;/h3-6H,2,7H2,1H3;1H
InChIKeyOQIFRCMYFGLTNZ-UHFFFAOYSA-N
MW251.16 g/mol
LogP4.10
Rot. Bonds3

About 1-bromo-4-propylsulfanylbenzene;hydrofluoride

1-bromo-4-propylsulfanylbenzene;hydrofluoride (PubChem CID 174332462) has the molecular formula C9H12BrFS and a molecular weight of 251.16 g/mol. Its IUPAC name is 1-bromo-4-propylsulfanylbenzene;hydrofluoride.

Molecular Properties

Compound Name1-bromo-4-propylsulfanylbenzene;hydrofluoride
PubChem CID174332462
Molecular FormulaC9H12BrFS
Molecular Weight251.16 g/mol
Exact Mass249.98
IUPAC Name1-bromo-4-propylsulfanylbenzene;hydrofluoride
SMILESCCCSc1ccc(Br)cc1.F
InChIInChI=1S/C9H11BrS.FH/c1-2-7-11-9-5-3-8(10)4-6-9;/h3-6H,2,7H2,1H3;1H
InChIKeyOQIFRCMYFGLTNZ-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.16
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(4-bromophenyl)sulfanylethyl]pentan-1-amine
CID 60690697
2-(4-bromophenyl)sulfanylethyl-ethyl-dimethylazanium iodide
CID 21150026
1-propylsulfanyl-4-(4-propylsulfanylphenoxy)benzene
CID 3090414
1-tert-butyl-4-propylsulfanylbenzene
CID 86200196
3-(4-bromophenyl)sulfanylpropan-1-ol
CID 43392834
magnesium;2-(4-bromophenyl)sulfanyl-N,N-dimethylethanamine;hydride
CID 173311405
2-bromo-5-propylsulfanylbenzenethiol
CID 141277040
3-(4-bromophenyl)sulfanylpropanenitrile
CID 14090121
(2S)-1-(4-bromophenyl)sulfanylpropan-2-amine
CID 95457418
4-(4-propylsulfanylphenyl)phenol
CID 70387608
2-(4-bromophenyl)sulfanylethyl acetate
CID 152673252
5-(4-bromophenyl)sulfanyl-2-methylpentan-2-amine
CID 3026385

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-propylsulfanylbenzene;hydrofluoride?
The IUPAC name of 1-bromo-4-propylsulfanylbenzene;hydrofluoride (CID 174332462) is 1-bromo-4-propylsulfanylbenzene;hydrofluoride.
What is the SMILES notation for 1-bromo-4-propylsulfanylbenzene;hydrofluoride?
The canonical SMILES for 1-bromo-4-propylsulfanylbenzene;hydrofluoride is CCCSc1ccc(Br)cc1.F.
What is the InChIKey of 1-bromo-4-propylsulfanylbenzene;hydrofluoride?
The InChIKey is OQIFRCMYFGLTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrS.FH/c1-2-7-11-9-5-3-8(10)4-6-9;/h3-6H,2,7H2,1H3;1H.
What are the key properties of 1-bromo-4-propylsulfanylbenzene;hydrofluoride?
1-bromo-4-propylsulfanylbenzene;hydrofluoride has a molecular weight of 251.16 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-propylsulfanylbenzene;hydrofluoride is sourced from PubChem (CID 174332462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).