2-bromo-4-chloro-1-methylsulfinylbenzene

C7H6BrClOS — CID 132541068

IUPAC2-bromo-4-chloro-1-methylsulfinylbenzene
SMILESCS(=O)c1ccc(Cl)cc1Br
InChIInChI=1S/C7H6BrClOS/c1-11(10)7-3-2-5(9)4-6(7)8/h2-4H,1H3
InChIKeyZBBMPUSWFGLNPI-UHFFFAOYSA-N
MW253.55 g/mol
LogP2.84
Rot. Bonds1

About 2-bromo-4-chloro-1-methylsulfinylbenzene

2-bromo-4-chloro-1-methylsulfinylbenzene (PubChem CID 132541068) has the molecular formula C7H6BrClOS and a molecular weight of 253.55 g/mol. Its IUPAC name is 2-bromo-4-chloro-1-methylsulfinylbenzene.

Molecular Properties

Compound Name2-bromo-4-chloro-1-methylsulfinylbenzene
PubChem CID132541068
Molecular FormulaC7H6BrClOS
Molecular Weight253.55 g/mol
Exact Mass251.90
IUPAC Name2-bromo-4-chloro-1-methylsulfinylbenzene
SMILESCS(=O)c1ccc(Cl)cc1Br
InChIInChI=1S/C7H6BrClOS/c1-11(10)7-3-2-5(9)4-6(7)8/h2-4H,1H3
InChIKeyZBBMPUSWFGLNPI-UHFFFAOYSA-N
XLogP2.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.55
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-1-methyl-2-methylsulfinylbenzene
CID 140984936
1-bromo-2,3-dichloro-4-methylsulfinylbenzene
CID 70338673
(4-chloro-2-methylsulfinylphenyl)methanamine
CID 68917399
N-(2-bromo-5-chlorophenyl)methanesulfinamide
CID 130762687
2-(2-amino-4-chlorophenyl)sulfinyl-5-chloroaniline
CID 21272515
2-bromo-4-chloro-1-methylsulfonylbenzene
CID 75487839
N-(2-bromo-4-chlorophenyl)propane-1-sulfinamide
CID 130905808
2-bromo-4-chloro-1-methoxybenzene
CID 140982994
(2-bromo-4-chlorophenyl)boronic acid
CID 74892425
5-chloro-2-propylsulfinylaniline
CID 81175936
2-bromo-4-chlorobenzenesulfonamide
CID 79018093
(R)-N-[(2-bromo-4-chlorophenyl)methylidene]-2-methylpropane-2-sulfinamide;sulfane
CID 160531768

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-1-methylsulfinylbenzene?
The IUPAC name of 2-bromo-4-chloro-1-methylsulfinylbenzene (CID 132541068) is 2-bromo-4-chloro-1-methylsulfinylbenzene.
What is the SMILES notation for 2-bromo-4-chloro-1-methylsulfinylbenzene?
The canonical SMILES for 2-bromo-4-chloro-1-methylsulfinylbenzene is CS(=O)c1ccc(Cl)cc1Br.
What is the InChIKey of 2-bromo-4-chloro-1-methylsulfinylbenzene?
The InChIKey is ZBBMPUSWFGLNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrClOS/c1-11(10)7-3-2-5(9)4-6(7)8/h2-4H,1H3.
What are the key properties of 2-bromo-4-chloro-1-methylsulfinylbenzene?
2-bromo-4-chloro-1-methylsulfinylbenzene has a molecular weight of 253.55 g/mol, XLogP of 2.84, 1 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-methylsulfinylbenzene is sourced from PubChem (CID 132541068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).