5-bromo-2-methyl-3-sulfanylphenol

C7H7BrOS — CID 91874758

IUPAC5-bromo-2-methyl-3-sulfanylphenol
SMILESCc1c(O)cc(Br)cc1S
InChIInChI=1S/C7H7BrOS/c1-4-6(9)2-5(8)3-7(4)10/h2-3,9-10H,1H3
InChIKeyVJHAZJKKJANKNH-UHFFFAOYSA-N
MW219.10 g/mol
LogP2.75
Rot. Bonds

About 5-bromo-2-methyl-3-sulfanylphenol

5-bromo-2-methyl-3-sulfanylphenol (PubChem CID 91874758) has the molecular formula C7H7BrOS and a molecular weight of 219.10 g/mol. Its IUPAC name is 5-bromo-2-methyl-3-sulfanylphenol.

Molecular Properties

Compound Name5-bromo-2-methyl-3-sulfanylphenol
PubChem CID91874758
Molecular FormulaC7H7BrOS
Molecular Weight219.10 g/mol
Exact Mass217.94
IUPAC Name5-bromo-2-methyl-3-sulfanylphenol
SMILESCc1c(O)cc(Br)cc1S
InChIInChI=1S/C7H7BrOS/c1-4-6(9)2-5(8)3-7(4)10/h2-3,9-10H,1H3
InChIKeyVJHAZJKKJANKNH-UHFFFAOYSA-N
XLogP2.75
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.10
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2,5-dibromo-3-methylphenol
CID 84807682
2,3-diamino-5-bromobenzenethiol
CID 143121859
ethane;2-methyl-3-sulfanylphenol
CID 143478327
5-bromo-2-propan-2-ylbenzene-1,3-diol
CID 19910498
5-bromo-2-methylbenzenethiol
CID 19018166
4-bromo-2,3,5-trimethylphenol
CID 3629334
4-bromo-2,6-bis(sulfanyl)benzoic acid
CID 151143453
3-bromo-5-fluoro-2-methylphenol;ethane
CID 156879236
2-bromo-5-methylthiophen-3-ol
CID 54252738
5-bromo-2-fluoro-3-(trifluoromethyl)phenol
CID 125116389
2-amino-5-bromo-3-ethylbenzenethiol
CID 81291404
5-bromo-2-methyl-1,3-benzothiazol-7-ol
CID 118386441

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-3-sulfanylphenol?
The IUPAC name of 5-bromo-2-methyl-3-sulfanylphenol (CID 91874758) is 5-bromo-2-methyl-3-sulfanylphenol.
What is the SMILES notation for 5-bromo-2-methyl-3-sulfanylphenol?
The canonical SMILES for 5-bromo-2-methyl-3-sulfanylphenol is Cc1c(O)cc(Br)cc1S.
What is the InChIKey of 5-bromo-2-methyl-3-sulfanylphenol?
The InChIKey is VJHAZJKKJANKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrOS/c1-4-6(9)2-5(8)3-7(4)10/h2-3,9-10H,1H3.
What are the key properties of 5-bromo-2-methyl-3-sulfanylphenol?
5-bromo-2-methyl-3-sulfanylphenol has a molecular weight of 219.10 g/mol, XLogP of 2.75, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-3-sulfanylphenol is sourced from PubChem (CID 91874758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).