(5-bromothiophen-2-yl) ethyl carbonate

C7H7BrO3S — CID 67455175

IUPAC(5-bromothiophen-2-yl) ethyl carbonate
SMILESCCOC(=O)Oc1ccc(Br)s1
InChIInChI=1S/C7H7BrO3S/c1-2-10-7(9)11-6-4-3-5(8)12-6/h3-4H,2H2,1H3
InChIKeyQHRZPIGTDTWEIO-UHFFFAOYSA-N
MW251.10 g/mol
LogP3.05
Rot. Bonds2

About (5-bromothiophen-2-yl) ethyl carbonate

(5-bromothiophen-2-yl) ethyl carbonate (PubChem CID 67455175) has the molecular formula C7H7BrO3S and a molecular weight of 251.10 g/mol. Its IUPAC name is (5-bromothiophen-2-yl) ethyl carbonate.

Molecular Properties

Compound Name(5-bromothiophen-2-yl) ethyl carbonate
PubChem CID67455175
Molecular FormulaC7H7BrO3S
Molecular Weight251.10 g/mol
Exact Mass249.93
IUPAC Name(5-bromothiophen-2-yl) ethyl carbonate
SMILESCCOC(=O)Oc1ccc(Br)s1
InChIInChI=1S/C7H7BrO3S/c1-2-10-7(9)11-6-4-3-5(8)12-6/h3-4H,2H2,1H3
InChIKeyQHRZPIGTDTWEIO-UHFFFAOYSA-N
XLogP3.05
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.10
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl) ethyl carbonate?
The IUPAC name of (5-bromothiophen-2-yl) ethyl carbonate (CID 67455175) is (5-bromothiophen-2-yl) ethyl carbonate.
What is the SMILES notation for (5-bromothiophen-2-yl) ethyl carbonate?
The canonical SMILES for (5-bromothiophen-2-yl) ethyl carbonate is CCOC(=O)Oc1ccc(Br)s1.
What is the InChIKey of (5-bromothiophen-2-yl) ethyl carbonate?
The InChIKey is QHRZPIGTDTWEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrO3S/c1-2-10-7(9)11-6-4-3-5(8)12-6/h3-4H,2H2,1H3.
What are the key properties of (5-bromothiophen-2-yl) ethyl carbonate?
(5-bromothiophen-2-yl) ethyl carbonate has a molecular weight of 251.10 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-2-yl) ethyl carbonate is sourced from PubChem (CID 67455175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).