5-bromo-2-methylsulfanylphenol

C7H7BrOS — CID 21187949

IUPAC5-bromo-2-methylsulfanylphenol
SMILESCSc1ccc(Br)cc1O
InChIInChI=1S/C7H7BrOS/c1-10-7-3-2-5(8)4-6(7)9/h2-4,9H,1H3
InChIKeyZXMHBHCMBGDOMR-UHFFFAOYSA-N
MW219.10 g/mol
LogP2.88
Rot. Bonds1

About 5-bromo-2-methylsulfanylphenol

5-bromo-2-methylsulfanylphenol (PubChem CID 21187949) has the molecular formula C7H7BrOS and a molecular weight of 219.10 g/mol. Its IUPAC name is 5-bromo-2-methylsulfanylphenol.

Molecular Properties

Compound Name5-bromo-2-methylsulfanylphenol
PubChem CID21187949
Molecular FormulaC7H7BrOS
Molecular Weight219.10 g/mol
Exact Mass217.94
IUPAC Name5-bromo-2-methylsulfanylphenol
SMILESCSc1ccc(Br)cc1O
InChIInChI=1S/C7H7BrOS/c1-10-7-3-2-5(8)4-6(7)9/h2-4,9H,1H3
InChIKeyZXMHBHCMBGDOMR-UHFFFAOYSA-N
XLogP2.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.10
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methylsulfanylphenol?
The IUPAC name of 5-bromo-2-methylsulfanylphenol (CID 21187949) is 5-bromo-2-methylsulfanylphenol.
What is the SMILES notation for 5-bromo-2-methylsulfanylphenol?
The canonical SMILES for 5-bromo-2-methylsulfanylphenol is CSc1ccc(Br)cc1O.
What is the InChIKey of 5-bromo-2-methylsulfanylphenol?
The InChIKey is ZXMHBHCMBGDOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrOS/c1-10-7-3-2-5(8)4-6(7)9/h2-4,9H,1H3.
What are the key properties of 5-bromo-2-methylsulfanylphenol?
5-bromo-2-methylsulfanylphenol has a molecular weight of 219.10 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methylsulfanylphenol is sourced from PubChem (CID 21187949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).