1-(4-bromo-5-methylthiophen-2-yl)-4-methylsulfonylbutan-1-ol

C10H15BrO3S2 — CID 102829631

IUPAC1-(4-bromo-5-methylthiophen-2-yl)-4-methylsulfonylbutan-1-ol
SMILESCc1sc(C(O)CCCS(C)(=O)=O)cc1Br
InChIInChI=1S/C10H15BrO3S2/c1-7-8(11)6-10(15-7)9(12)4-3-5-16(2,13)14/h6,9,12H,3-5H2,1-2H3
InChIKeyDWVFOBQQQXLSRH-UHFFFAOYSA-N
MW327.27 g/mol
LogP2.68
Rot. Bonds5

About 1-(4-bromo-5-methylthiophen-2-yl)-4-methylsulfonylbutan-1-ol

1-(4-bromo-5-methylthiophen-2-yl)-4-methylsulfonylbutan-1-ol (PubChem CID 102829631) has the molecular formula C10H15BrO3S2 and a molecular weight of 327.27 g/mol. Its IUPAC name is 1-(4-bromo-5-methylthiophen-2-yl)-4-methylsulfonylbutan-1-ol.

Molecular Properties

Compound Name1-(4-bromo-5-methylthiophen-2-yl)-4-methylsulfonylbutan-1-ol
PubChem CID102829631
Molecular FormulaC10H15BrO3S2
Molecular Weight327.27 g/mol
Exact Mass325.96
IUPAC Name1-(4-bromo-5-methylthiophen-2-yl)-4-methylsulfonylbutan-1-ol
SMILESCc1sc(C(O)CCCS(C)(=O)=O)cc1Br
InChIInChI=1S/C10H15BrO3S2/c1-7-8(11)6-10(15-7)9(12)4-3-5-16(2,13)14/h6,9,12H,3-5H2,1-2H3
InChIKeyDWVFOBQQQXLSRH-UHFFFAOYSA-N
XLogP2.68
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromo-5-methylthiophen-2-yl)-2-methylsulfonylethanol
CID 102834626
1-(4-bromo-5-methylthiophen-2-yl)pentan-1-ol
CID 102829531
1-(3-bromo-4-methylphenyl)-4-methylsulfonylbutan-1-ol
CID 115780268
1-(4-methoxythiophen-2-yl)-4-methylsulfonylbutan-1-ol
CID 115780120
1-(6-fluoro-1-benzothiophen-2-yl)-4-methylsulfonylbutan-1-ol
CID 115780125
1-(4-bromo-5-methylthiophen-2-yl)-3-ethylheptan-1-ol
CID 102829735
1-(3,4-dimethylphenyl)-4-methylsulfonylbutan-1-ol
CID 65148500
1-(4-bromo-3-chlorophenyl)-4-methylsulfonylbutan-1-ol
CID 115780172
1-(4,5-dibromothiophen-2-yl)heptan-1-ol
CID 114753442
1-(4,5-dibromothiophen-2-yl)octan-1-ol
CID 80535373
1-(5-bromo-2-methoxyphenyl)-4-methylsulfonylbutan-1-ol
CID 65145489
1-(4-bromo-5-methylthiophen-2-yl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 102829639

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5-methylthiophen-2-yl)-4-methylsulfonylbutan-1-ol?
The IUPAC name of 1-(4-bromo-5-methylthiophen-2-yl)-4-methylsulfonylbutan-1-ol (CID 102829631) is 1-(4-bromo-5-methylthiophen-2-yl)-4-methylsulfonylbutan-1-ol.
What is the SMILES notation for 1-(4-bromo-5-methylthiophen-2-yl)-4-methylsulfonylbutan-1-ol?
The canonical SMILES for 1-(4-bromo-5-methylthiophen-2-yl)-4-methylsulfonylbutan-1-ol is Cc1sc(C(O)CCCS(C)(=O)=O)cc1Br.
What is the InChIKey of 1-(4-bromo-5-methylthiophen-2-yl)-4-methylsulfonylbutan-1-ol?
The InChIKey is DWVFOBQQQXLSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrO3S2/c1-7-8(11)6-10(15-7)9(12)4-3-5-16(2,13)14/h6,9,12H,3-5H2,1-2H3.
What are the key properties of 1-(4-bromo-5-methylthiophen-2-yl)-4-methylsulfonylbutan-1-ol?
1-(4-bromo-5-methylthiophen-2-yl)-4-methylsulfonylbutan-1-ol has a molecular weight of 327.27 g/mol, XLogP of 2.68, 5 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)-4-methylsulfonylbutan-1-ol is sourced from PubChem (CID 102829631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).