1-bromo-2-methylsulfinylbenzene

C7H7BrOS — CID 11074873

IUPAC1-bromo-2-methylsulfinylbenzene
SMILESCS(=O)c1ccccc1Br
InChIInChI=1S/C7H7BrOS/c1-10(9)7-5-3-2-4-6(7)8/h2-5H,1H3
InChIKeyNNNHMHLNXXGWBA-UHFFFAOYSA-N
MW219.10 g/mol
LogP2.19
Rot. Bonds1

About 1-bromo-2-methylsulfinylbenzene

1-bromo-2-methylsulfinylbenzene (PubChem CID 11074873) has the molecular formula C7H7BrOS and a molecular weight of 219.10 g/mol. Its IUPAC name is 1-bromo-2-methylsulfinylbenzene.

Molecular Properties

Compound Name1-bromo-2-methylsulfinylbenzene
PubChem CID11074873
Molecular FormulaC7H7BrOS
Molecular Weight219.10 g/mol
Exact Mass217.94
IUPAC Name1-bromo-2-methylsulfinylbenzene
SMILESCS(=O)c1ccccc1Br
InChIInChI=1S/C7H7BrOS/c1-10(9)7-5-3-2-4-6(7)8/h2-5H,1H3
InChIKeyNNNHMHLNXXGWBA-UHFFFAOYSA-N
XLogP2.19
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.10
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-methylsulfinylbenzene?
The IUPAC name of 1-bromo-2-methylsulfinylbenzene (CID 11074873) is 1-bromo-2-methylsulfinylbenzene.
What is the SMILES notation for 1-bromo-2-methylsulfinylbenzene?
The canonical SMILES for 1-bromo-2-methylsulfinylbenzene is CS(=O)c1ccccc1Br.
What is the InChIKey of 1-bromo-2-methylsulfinylbenzene?
The InChIKey is NNNHMHLNXXGWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrOS/c1-10(9)7-5-3-2-4-6(7)8/h2-5H,1H3.
What are the key properties of 1-bromo-2-methylsulfinylbenzene?
1-bromo-2-methylsulfinylbenzene has a molecular weight of 219.10 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-methylsulfinylbenzene is sourced from PubChem (CID 11074873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).