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

C9H10BrClS — CID 117221392

IUPAC2-bromo-4-chloro-1-(ethylsulfanylmethyl)benzene
SMILESCCSCc1ccc(Cl)cc1Br
InChIInChI=1S/C9H10BrClS/c1-2-12-6-7-3-4-8(11)5-9(7)10/h3-5H,2,6H2,1H3
InChIKeyVQLXNLPGCKPHFJ-UHFFFAOYSA-N
MW265.60 g/mol
LogP4.36
Rot. Bonds3

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

2-bromo-4-chloro-1-(ethylsulfanylmethyl)benzene (PubChem CID 117221392) has the molecular formula C9H10BrClS and a molecular weight of 265.60 g/mol. Its IUPAC name is 2-bromo-4-chloro-1-(ethylsulfanylmethyl)benzene.

Molecular Properties

Compound Name2-bromo-4-chloro-1-(ethylsulfanylmethyl)benzene
PubChem CID117221392
Molecular FormulaC9H10BrClS
Molecular Weight265.60 g/mol
Exact Mass263.94
IUPAC Name2-bromo-4-chloro-1-(ethylsulfanylmethyl)benzene
SMILESCCSCc1ccc(Cl)cc1Br
InChIInChI=1S/C9H10BrClS/c1-2-12-6-7-3-4-8(11)5-9(7)10/h3-5H,2,6H2,1H3
InChIKeyVQLXNLPGCKPHFJ-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

4-chloro-2-(ethylsulfanylmethyl)-1-fluorobenzene
CID 126990340
N-[(2-bromo-4-chlorophenyl)methyl]ethanamine
CID 81497013
methyl 3-bromo-4-(ethylsulfanylmethyl)benzoate
CID 102765689
2-[(2-bromo-4-chlorophenyl)methylsulfanyl]-5-chloroaniline
CID 125464567
5-chloro-3-(ethylsulfanylmethyl)-1H-indole
CID 57132711
1-bromo-2-chloro-4-(ethylsulfanylmethyl)benzene
CID 117220623
5-bromo-6-(ethylsulfanylmethyl)-1,3-benzodioxole
CID 10446062
N-[(2-bromo-4-chlorophenyl)methyl]-2-methylpropan-2-amine
CID 75361237
(2-bromo-4-chlorophenyl)methanesulfonamide
CID 71683198
4-bromo-1-(ethylsulfanylmethyl)-2-methoxybenzene
CID 117219861
1-(2-bromo-4-chlorophenyl)-3-methylbutan-2-amine
CID 115347459
3-(2-bromo-4-chlorophenyl)propanal
CID 117372251

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-1-(ethylsulfanylmethyl)benzene?
The IUPAC name of 2-bromo-4-chloro-1-(ethylsulfanylmethyl)benzene (CID 117221392) is 2-bromo-4-chloro-1-(ethylsulfanylmethyl)benzene.
What is the SMILES notation for 2-bromo-4-chloro-1-(ethylsulfanylmethyl)benzene?
The canonical SMILES for 2-bromo-4-chloro-1-(ethylsulfanylmethyl)benzene is CCSCc1ccc(Cl)cc1Br.
What is the InChIKey of 2-bromo-4-chloro-1-(ethylsulfanylmethyl)benzene?
The InChIKey is VQLXNLPGCKPHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrClS/c1-2-12-6-7-3-4-8(11)5-9(7)10/h3-5H,2,6H2,1H3.
What are the key properties of 2-bromo-4-chloro-1-(ethylsulfanylmethyl)benzene?
2-bromo-4-chloro-1-(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 2-bromo-4-chloro-1-(ethylsulfanylmethyl)benzene is sourced from PubChem (CID 117221392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).