2-(5-bromothiophen-2-yl)-1-(1,1-dioxothiolan-3-yl)ethanol

C10H13BrO3S2 — CID 115336371

IUPAC2-(5-bromothiophen-2-yl)-1-(1,1-dioxothiolan-3-yl)ethanol
SMILESO=S1(=O)CCC(C(O)Cc2ccc(Br)s2)C1
InChIInChI=1S/C10H13BrO3S2/c11-10-2-1-8(15-10)5-9(12)7-3-4-16(13,14)6-7/h1-2,7,9,12H,3-6H2
InChIKeyFNUXYOQVFDLNER-UHFFFAOYSA-N
MW325.25 g/mol
LogP1.85
Rot. Bonds3

About 2-(5-bromothiophen-2-yl)-1-(1,1-dioxothiolan-3-yl)ethanol

2-(5-bromothiophen-2-yl)-1-(1,1-dioxothiolan-3-yl)ethanol (PubChem CID 115336371) has the molecular formula C10H13BrO3S2 and a molecular weight of 325.25 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-1-(1,1-dioxothiolan-3-yl)ethanol.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-1-(1,1-dioxothiolan-3-yl)ethanol
PubChem CID115336371
Molecular FormulaC10H13BrO3S2
Molecular Weight325.25 g/mol
Exact Mass323.95
IUPAC Name2-(5-bromothiophen-2-yl)-1-(1,1-dioxothiolan-3-yl)ethanol
SMILESO=S1(=O)CCC(C(O)Cc2ccc(Br)s2)C1
InChIInChI=1S/C10H13BrO3S2/c11-10-2-1-8(15-10)5-9(12)7-3-4-16(13,14)6-7/h1-2,7,9,12H,3-6H2
InChIKeyFNUXYOQVFDLNER-UHFFFAOYSA-N
XLogP1.85
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-bromothiophen-2-yl)-2-(1,1-dioxothiolan-3-yl)propan-1-amine
CID 62504988
1-(1,1-dioxothiolan-3-yl)-2-(1,3-thiazol-5-yl)ethanol
CID 112642657
2-(5-bromothiophen-2-yl)-1-(4-propylcyclohexyl)ethanol
CID 65423327
2-(2,5-dichlorophenyl)-1-(1,1-dioxothiolan-3-yl)ethanol
CID 115336404
2-[(5-bromothiophen-2-yl)methyl]-2-(1,1-dioxothiolan-3-yl)propane-1,3-diol
CID 79449722
N-[(5-bromothiophen-2-yl)-(1,1-dioxothiolan-3-yl)methyl]ethanamine
CID 64905985
N-[2-(5-bromothiophen-2-yl)ethyl]-1,1-dioxothiolane-3-carboxamide
CID 18157738
N-[(5-bromothiophen-2-yl)methyl]-2-(1,1-dioxothiolan-3-yl)acetamide
CID 60741009
2-(5-bromothiophen-2-yl)-1-pyrrolidin-2-ylethanol
CID 106639985
3-(5-chlorothiophen-2-yl)-2-(1,1-dioxothiolan-3-yl)propan-1-amine
CID 55083701
1-(1,1-dioxothiolan-3-yl)-2-(3-methyl-2-pyridinyl)ethanol
CID 66461707
2-(6-bromo-2-pyridinyl)-1-(1,1-dioxothian-4-yl)ethanol
CID 59525637

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-1-(1,1-dioxothiolan-3-yl)ethanol?
The IUPAC name of 2-(5-bromothiophen-2-yl)-1-(1,1-dioxothiolan-3-yl)ethanol (CID 115336371) is 2-(5-bromothiophen-2-yl)-1-(1,1-dioxothiolan-3-yl)ethanol.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-1-(1,1-dioxothiolan-3-yl)ethanol?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-1-(1,1-dioxothiolan-3-yl)ethanol is O=S1(=O)CCC(C(O)Cc2ccc(Br)s2)C1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-1-(1,1-dioxothiolan-3-yl)ethanol?
The InChIKey is FNUXYOQVFDLNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrO3S2/c11-10-2-1-8(15-10)5-9(12)7-3-4-16(13,14)6-7/h1-2,7,9,12H,3-6H2.
What are the key properties of 2-(5-bromothiophen-2-yl)-1-(1,1-dioxothiolan-3-yl)ethanol?
2-(5-bromothiophen-2-yl)-1-(1,1-dioxothiolan-3-yl)ethanol has a molecular weight of 325.25 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-1-(1,1-dioxothiolan-3-yl)ethanol is sourced from PubChem (CID 115336371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).