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

C6H4Br2O3S — CID 23221411

IUPAC(4,5-dibromothiophen-2-yl) methyl carbonate
SMILESCOC(=O)Oc1cc(Br)c(Br)s1
InChIInChI=1S/C6H4Br2O3S/c1-10-6(9)11-4-2-3(7)5(8)12-4/h2H,1H3
InChIKeyBPYZNVHRLFARAA-UHFFFAOYSA-N
MW315.97 g/mol
LogP3.42
Rot. Bonds1

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

(4,5-dibromothiophen-2-yl) methyl carbonate (PubChem CID 23221411) has the molecular formula C6H4Br2O3S and a molecular weight of 315.97 g/mol. Its IUPAC name is (4,5-dibromothiophen-2-yl) methyl carbonate.

Molecular Properties

Compound Name(4,5-dibromothiophen-2-yl) methyl carbonate
PubChem CID23221411
Molecular FormulaC6H4Br2O3S
Molecular Weight315.97 g/mol
Exact Mass313.82
IUPAC Name(4,5-dibromothiophen-2-yl) methyl carbonate
SMILESCOC(=O)Oc1cc(Br)c(Br)s1
InChIInChI=1S/C6H4Br2O3S/c1-10-6(9)11-4-2-3(7)5(8)12-4/h2H,1H3
InChIKeyBPYZNVHRLFARAA-UHFFFAOYSA-N
XLogP3.42
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.97
LogP ≤ 53.42
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) methyl carbonate?
The IUPAC name of (4,5-dibromothiophen-2-yl) methyl carbonate (CID 23221411) is (4,5-dibromothiophen-2-yl) methyl carbonate.
What is the SMILES notation for (4,5-dibromothiophen-2-yl) methyl carbonate?
The canonical SMILES for (4,5-dibromothiophen-2-yl) methyl carbonate is COC(=O)Oc1cc(Br)c(Br)s1.
What is the InChIKey of (4,5-dibromothiophen-2-yl) methyl carbonate?
The InChIKey is BPYZNVHRLFARAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Br2O3S/c1-10-6(9)11-4-2-3(7)5(8)12-4/h2H,1H3.
What are the key properties of (4,5-dibromothiophen-2-yl) methyl carbonate?
(4,5-dibromothiophen-2-yl) methyl carbonate has a molecular weight of 315.97 g/mol, XLogP of 3.42, 1 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) methyl carbonate is sourced from PubChem (CID 23221411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).