1-(4-bromo-5-methylthiophen-2-yl)-2-methylsulfonylethanol

C8H11BrO3S2 — CID 102834626

IUPAC1-(4-bromo-5-methylthiophen-2-yl)-2-methylsulfonylethanol
SMILESCc1sc(C(O)CS(C)(=O)=O)cc1Br
InChIInChI=1S/C8H11BrO3S2/c1-5-6(9)3-8(13-5)7(10)4-14(2,11)12/h3,7,10H,4H2,1-2H3
InChIKeyCGLKEEZNIKAYAK-UHFFFAOYSA-N
MW299.21 g/mol
LogP1.90
Rot. Bonds3

About 1-(4-bromo-5-methylthiophen-2-yl)-2-methylsulfonylethanol

1-(4-bromo-5-methylthiophen-2-yl)-2-methylsulfonylethanol (PubChem CID 102834626) has the molecular formula C8H11BrO3S2 and a molecular weight of 299.21 g/mol. Its IUPAC name is 1-(4-bromo-5-methylthiophen-2-yl)-2-methylsulfonylethanol.

Molecular Properties

Compound Name1-(4-bromo-5-methylthiophen-2-yl)-2-methylsulfonylethanol
PubChem CID102834626
Molecular FormulaC8H11BrO3S2
Molecular Weight299.21 g/mol
Exact Mass297.93
IUPAC Name1-(4-bromo-5-methylthiophen-2-yl)-2-methylsulfonylethanol
SMILESCc1sc(C(O)CS(C)(=O)=O)cc1Br
InChIInChI=1S/C8H11BrO3S2/c1-5-6(9)3-8(13-5)7(10)4-14(2,11)12/h3,7,10H,4H2,1-2H3
InChIKeyCGLKEEZNIKAYAK-UHFFFAOYSA-N
XLogP1.90
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromo-5-methylthiophen-2-yl)-4-methylsulfonylbutan-1-ol
CID 102829631
1-(4-bromo-5-methylthiophen-2-yl)pentan-1-ol
CID 102829531
1-(4-bromo-5-methylthiophen-2-yl)-2-(5-chlorothiophen-2-yl)ethanol
CID 102829535
2-(4-bromo-5-methylthiophen-2-yl)-2-hydroxyacetamide
CID 102843536
1-(4-bromo-5-methylthiophen-2-yl)-N,2-dimethyl-2-methylsulfonylpropan-1-amine
CID 102827406
(1S)-1-(4,5-dibromothiophen-2-yl)-2-methylsulfonylethanamine
CID 130055149
2-bromo-5-(1-bromo-2-methylsulfonylethyl)-3-methylthiophene
CID 79991912
1-(4-bromo-5-methylthiophen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 102829532
1-(4-bromo-5-methylthiophen-2-yl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 102829639
1-(4-bromo-5-methylthiophen-2-yl)-3-ethylheptan-1-ol
CID 102829735
2-[1-[2-(4-bromo-5-methylthiophen-2-yl)-2-hydroxyethyl]cyclopentyl]acetic acid
CID 102828999
1-(4-bromo-5-methylthiophen-2-yl)-2,2,2-trifluoroethanesulfonyl chloride
CID 102846187

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5-methylthiophen-2-yl)-2-methylsulfonylethanol?
The IUPAC name of 1-(4-bromo-5-methylthiophen-2-yl)-2-methylsulfonylethanol (CID 102834626) is 1-(4-bromo-5-methylthiophen-2-yl)-2-methylsulfonylethanol.
What is the SMILES notation for 1-(4-bromo-5-methylthiophen-2-yl)-2-methylsulfonylethanol?
The canonical SMILES for 1-(4-bromo-5-methylthiophen-2-yl)-2-methylsulfonylethanol is Cc1sc(C(O)CS(C)(=O)=O)cc1Br.
What is the InChIKey of 1-(4-bromo-5-methylthiophen-2-yl)-2-methylsulfonylethanol?
The InChIKey is CGLKEEZNIKAYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrO3S2/c1-5-6(9)3-8(13-5)7(10)4-14(2,11)12/h3,7,10H,4H2,1-2H3.
What are the key properties of 1-(4-bromo-5-methylthiophen-2-yl)-2-methylsulfonylethanol?
1-(4-bromo-5-methylthiophen-2-yl)-2-methylsulfonylethanol has a molecular weight of 299.21 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-5-methylthiophen-2-yl)-2-methylsulfonylethanol is sourced from PubChem (CID 102834626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).