1-bromo-2-chloro-4-(ethylsulfanylmethyl)benzene

C9H10BrClS — CID 117220623

IUPAC1-bromo-2-chloro-4-(ethylsulfanylmethyl)benzene
SMILESCCSCc1ccc(Br)c(Cl)c1
InChIInChI=1S/C9H10BrClS/c1-2-12-6-7-3-4-8(10)9(11)5-7/h3-5H,2,6H2,1H3
InChIKeyQFLZVWQNTKTCAA-UHFFFAOYSA-N
MW265.60 g/mol
LogP4.36
Rot. Bonds3

About 1-bromo-2-chloro-4-(ethylsulfanylmethyl)benzene

1-bromo-2-chloro-4-(ethylsulfanylmethyl)benzene (PubChem CID 117220623) has the molecular formula C9H10BrClS and a molecular weight of 265.60 g/mol. Its IUPAC name is 1-bromo-2-chloro-4-(ethylsulfanylmethyl)benzene.

Molecular Properties

Compound Name1-bromo-2-chloro-4-(ethylsulfanylmethyl)benzene
PubChem CID117220623
Molecular FormulaC9H10BrClS
Molecular Weight265.60 g/mol
Exact Mass263.94
IUPAC Name1-bromo-2-chloro-4-(ethylsulfanylmethyl)benzene
SMILESCCSCc1ccc(Br)c(Cl)c1
InChIInChI=1S/C9H10BrClS/c1-2-12-6-7-3-4-8(10)9(11)5-7/h3-5H,2,6H2,1H3
InChIKeyQFLZVWQNTKTCAA-UHFFFAOYSA-N
XLogP4.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.60
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-bromo-3-chlorophenyl)methyl]-N-ethylethanamine
CID 74889407
[2-bromo-4-(ethylsulfanylmethyl)phenyl]-(2,6-dichlorophenyl)methanone
CID 146252028
1-bromo-3-(ethylsulfanylmethyl)benzene
CID 60643993
[2-bromo-4-(ethylsulfanylmethyl)phenyl]-(2-chloro-4-fluorophenyl)methanone;ethane
CID 142346523
(2S)-1-(4-bromo-3-chlorophenyl)propan-2-amine
CID 130730966
N-[(4-bromo-3-chlorophenyl)methyl]propan-1-amine;fluoromethane
CID 142451886
1,3-dichloro-2-(ethylsulfanylmethyl)benzene
CID 59881902
1-(4-bromo-3-chlorophenyl)-3-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]thiourea
CID 100599457
1-bromo-4-[9-(4-bromo-3-chlorophenyl)nonyl]-2-methylbenzene
CID 144874601
1-bromo-2,4-dichlorobenzene;propanal
CID 174560641
2-[[(4-bromo-3-chlorophenyl)methylamino]methyl]-2-ethylbutan-1-ol
CID 106251907
N-[(4-bromo-3-chlorophenyl)methyl]-4-methylsulfanylaniline
CID 114076365

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-chloro-4-(ethylsulfanylmethyl)benzene?
The IUPAC name of 1-bromo-2-chloro-4-(ethylsulfanylmethyl)benzene (CID 117220623) is 1-bromo-2-chloro-4-(ethylsulfanylmethyl)benzene.
What is the SMILES notation for 1-bromo-2-chloro-4-(ethylsulfanylmethyl)benzene?
The canonical SMILES for 1-bromo-2-chloro-4-(ethylsulfanylmethyl)benzene is CCSCc1ccc(Br)c(Cl)c1.
What is the InChIKey of 1-bromo-2-chloro-4-(ethylsulfanylmethyl)benzene?
The InChIKey is QFLZVWQNTKTCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrClS/c1-2-12-6-7-3-4-8(10)9(11)5-7/h3-5H,2,6H2,1H3.
What are the key properties of 1-bromo-2-chloro-4-(ethylsulfanylmethyl)benzene?
1-bromo-2-chloro-4-(ethylsulfanylmethyl)benzene has a molecular weight of 265.60 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-chloro-4-(ethylsulfanylmethyl)benzene is sourced from PubChem (CID 117220623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).