2-bromo-5-methylthiophen-3-ol

C5H5BrOS — CID 54252738

IUPAC2-bromo-5-methylthiophen-3-ol
SMILESCc1cc(O)c(Br)s1
InChIInChI=1S/C5H5BrOS/c1-3-2-4(7)5(6)8-3/h2,7H,1H3
InChIKeyQXXLVPULJUTBIN-UHFFFAOYSA-N
MW193.06 g/mol
LogP2.52
Rot. Bonds

About 2-bromo-5-methylthiophen-3-ol

2-bromo-5-methylthiophen-3-ol (PubChem CID 54252738) has the molecular formula C5H5BrOS and a molecular weight of 193.06 g/mol. Its IUPAC name is 2-bromo-5-methylthiophen-3-ol.

Molecular Properties

Compound Name2-bromo-5-methylthiophen-3-ol
PubChem CID54252738
Molecular FormulaC5H5BrOS
Molecular Weight193.06 g/mol
Exact Mass191.92
IUPAC Name2-bromo-5-methylthiophen-3-ol
SMILESCc1cc(O)c(Br)s1
InChIInChI=1S/C5H5BrOS/c1-3-2-4(7)5(6)8-3/h2,7H,1H3
InChIKeyQXXLVPULJUTBIN-UHFFFAOYSA-N
XLogP2.52
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.06
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}

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Related Compounds

3-bromo-2-chloro-5-methylthiophene
CID 20732074
phenyl 3-hydroxy-5-methylthiophene-2-carboxylate
CID 86164411
(2R)-2-[(2-bromo-5-methylthiophene-3-carbonyl)amino]propanoic acid
CID 119370174
N-(2-aminoethyl)-2-bromo-5-methylthiophene-3-carboxamide
CID 119384710
(3,5-dimethylthiophen-2-yl)methanol
CID 81163700
(5-bromo-4-hydroxythiophen-2-yl)-phenylmethanone
CID 91881860
3-bromo-2-(1-fluoroethenyl)-5-methylthiophene
CID 142907298
4,10-dimethyl-5,9-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene
CID 138667135
2,5-dimethylthieno[3,2-b]thiophene;ethane
CID 144533203
5-bromo-2-methyl-3-sulfanylphenol
CID 91874758
2-methyl-5-methylsulfanyl-1-benzothiophen-7-ol
CID 131001451
(4,5-dibromothiophen-2-yl)-(3,5-dimethylthiophen-2-yl)methanone
CID 81155980

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methylthiophen-3-ol?
The IUPAC name of 2-bromo-5-methylthiophen-3-ol (CID 54252738) is 2-bromo-5-methylthiophen-3-ol.
What is the SMILES notation for 2-bromo-5-methylthiophen-3-ol?
The canonical SMILES for 2-bromo-5-methylthiophen-3-ol is Cc1cc(O)c(Br)s1.
What is the InChIKey of 2-bromo-5-methylthiophen-3-ol?
The InChIKey is QXXLVPULJUTBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrOS/c1-3-2-4(7)5(6)8-3/h2,7H,1H3.
What are the key properties of 2-bromo-5-methylthiophen-3-ol?
2-bromo-5-methylthiophen-3-ol has a molecular weight of 193.06 g/mol, XLogP of 2.52, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methylthiophen-3-ol is sourced from PubChem (CID 54252738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).