5-(4-bromo-5-chlorothiophen-2-yl)oxolan-2-one

C8H6BrClO2S — CID 103439847

IUPAC5-(4-bromo-5-chlorothiophen-2-yl)oxolan-2-one
SMILESO=C1CCC(c2cc(Br)c(Cl)s2)O1
InChIInChI=1S/C8H6BrClO2S/c9-4-3-6(13-8(4)10)5-1-2-7(11)12-5/h3,5H,1-2H2
InChIKeyCEWKZKONOQGILB-UHFFFAOYSA-N
MW281.56 g/mol
LogP3.54
Rot. Bonds1

About 5-(4-bromo-5-chlorothiophen-2-yl)oxolan-2-one

5-(4-bromo-5-chlorothiophen-2-yl)oxolan-2-one (PubChem CID 103439847) has the molecular formula C8H6BrClO2S and a molecular weight of 281.56 g/mol. Its IUPAC name is 5-(4-bromo-5-chlorothiophen-2-yl)oxolan-2-one.

Molecular Properties

Compound Name5-(4-bromo-5-chlorothiophen-2-yl)oxolan-2-one
PubChem CID103439847
Molecular FormulaC8H6BrClO2S
Molecular Weight281.56 g/mol
Exact Mass279.90
IUPAC Name5-(4-bromo-5-chlorothiophen-2-yl)oxolan-2-one
SMILESO=C1CCC(c2cc(Br)c(Cl)s2)O1
InChIInChI=1S/C8H6BrClO2S/c9-4-3-6(13-8(4)10)5-1-2-7(11)12-5/h3,5H,1-2H2
InChIKeyCEWKZKONOQGILB-UHFFFAOYSA-N
XLogP3.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.56
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-2-(4-bromo-5-chlorothiophen-2-yl)-6-chloro-3,4-dihydro-2H-chromen-4-ol
CID 102845999
2-(4-bromo-5-chlorothiophen-2-yl)-6-chloro-3,4-dihydro-2H-chromen-4-ol
CID 102845967
(4R)-2-(4-bromo-5-chlorothiophen-2-yl)-6-chloro-3,4-dihydro-2H-chromen-4-amine
CID 102846110
(4R)-2-(4-bromo-5-chlorothiophen-2-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 102846033
(3R,8aS)-3-(4-bromo-5-chlorothiophen-2-yl)-2,3,5,6,8,8a-hexahydroimidazo[5,1-c][1,4]oxazin-1-one
CID 99779245
5-(3-chloro-4-hydroxyphenyl)oxolan-2-one
CID 103439861
3-(4-bromo-5-chlorothiophen-2-yl)-2,5-dimethylpyrrolidine
CID 102844812
(4R)-2-(4-bromo-5-chlorothiophen-2-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 102846024
6-bromo-2-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 102846162
5-(2-chloro-5-nitrophenyl)oxolan-2-one
CID 90237929
(4R)-2-(4-bromo-5-chlorothiophen-2-yl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 102846101
5-(4-bromo-5-chlorothiophen-2-yl)-2-(2-methoxyethylimino)imidazolidin-4-one
CID 136964624

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-5-chlorothiophen-2-yl)oxolan-2-one?
The IUPAC name of 5-(4-bromo-5-chlorothiophen-2-yl)oxolan-2-one (CID 103439847) is 5-(4-bromo-5-chlorothiophen-2-yl)oxolan-2-one.
What is the SMILES notation for 5-(4-bromo-5-chlorothiophen-2-yl)oxolan-2-one?
The canonical SMILES for 5-(4-bromo-5-chlorothiophen-2-yl)oxolan-2-one is O=C1CCC(c2cc(Br)c(Cl)s2)O1.
What is the InChIKey of 5-(4-bromo-5-chlorothiophen-2-yl)oxolan-2-one?
The InChIKey is CEWKZKONOQGILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrClO2S/c9-4-3-6(13-8(4)10)5-1-2-7(11)12-5/h3,5H,1-2H2.
What are the key properties of 5-(4-bromo-5-chlorothiophen-2-yl)oxolan-2-one?
5-(4-bromo-5-chlorothiophen-2-yl)oxolan-2-one has a molecular weight of 281.56 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-5-chlorothiophen-2-yl)oxolan-2-one is sourced from PubChem (CID 103439847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).