(4,5-dibromothiophen-2-yl) ethyl carbonate

C7H6Br2O3S — CID 67425091

IUPAC(4,5-dibromothiophen-2-yl) ethyl carbonate
SMILESCCOC(=O)Oc1cc(Br)c(Br)s1
InChIInChI=1S/C7H6Br2O3S/c1-2-11-7(10)12-5-3-4(8)6(9)13-5/h3H,2H2,1H3
InChIKeySLYWRAKAGFIAOT-UHFFFAOYSA-N
MW330.00 g/mol
LogP3.81
Rot. Bonds2

About (4,5-dibromothiophen-2-yl) ethyl carbonate

(4,5-dibromothiophen-2-yl) ethyl carbonate (PubChem CID 67425091) has the molecular formula C7H6Br2O3S and a molecular weight of 330.00 g/mol. Its IUPAC name is (4,5-dibromothiophen-2-yl) ethyl carbonate.

Molecular Properties

Compound Name(4,5-dibromothiophen-2-yl) ethyl carbonate
PubChem CID67425091
Molecular FormulaC7H6Br2O3S
Molecular Weight330.00 g/mol
Exact Mass327.84
IUPAC Name(4,5-dibromothiophen-2-yl) ethyl carbonate
SMILESCCOC(=O)Oc1cc(Br)c(Br)s1
InChIInChI=1S/C7H6Br2O3S/c1-2-11-7(10)12-5-3-4(8)6(9)13-5/h3H,2H2,1H3
InChIKeySLYWRAKAGFIAOT-UHFFFAOYSA-N
XLogP3.81
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.00
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4,5-dibromothiophen-2-yl) ethyl carbonate?
The IUPAC name of (4,5-dibromothiophen-2-yl) ethyl carbonate (CID 67425091) is (4,5-dibromothiophen-2-yl) ethyl carbonate.
What is the SMILES notation for (4,5-dibromothiophen-2-yl) ethyl carbonate?
The canonical SMILES for (4,5-dibromothiophen-2-yl) ethyl carbonate is CCOC(=O)Oc1cc(Br)c(Br)s1.
What is the InChIKey of (4,5-dibromothiophen-2-yl) ethyl carbonate?
The InChIKey is SLYWRAKAGFIAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Br2O3S/c1-2-11-7(10)12-5-3-4(8)6(9)13-5/h3H,2H2,1H3.
What are the key properties of (4,5-dibromothiophen-2-yl) ethyl carbonate?
(4,5-dibromothiophen-2-yl) ethyl carbonate has a molecular weight of 330.00 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dibromothiophen-2-yl) ethyl carbonate is sourced from PubChem (CID 67425091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).