(2,5-dibromothiophen-3-yl)-(5-methyloxolan-2-yl)methanone

C10H10Br2O2S — CID 81329910

IUPAC(2,5-dibromothiophen-3-yl)-(5-methyloxolan-2-yl)methanone
SMILESCC1CCC(C(=O)c2cc(Br)sc2Br)O1
InChIInChI=1S/C10H10Br2O2S/c1-5-2-3-7(14-5)9(13)6-4-8(11)15-10(6)12/h4-5,7H,2-3H2,1H3
InChIKeyZCIVNFFLDWQEAN-UHFFFAOYSA-N
MW354.06 g/mol
LogP4.02
Rot. Bonds2

About (2,5-dibromothiophen-3-yl)-(5-methyloxolan-2-yl)methanone

(2,5-dibromothiophen-3-yl)-(5-methyloxolan-2-yl)methanone (PubChem CID 81329910) has the molecular formula C10H10Br2O2S and a molecular weight of 354.06 g/mol. Its IUPAC name is (2,5-dibromothiophen-3-yl)-(5-methyloxolan-2-yl)methanone.

Molecular Properties

Compound Name(2,5-dibromothiophen-3-yl)-(5-methyloxolan-2-yl)methanone
PubChem CID81329910
Molecular FormulaC10H10Br2O2S
Molecular Weight354.06 g/mol
Exact Mass351.88
IUPAC Name(2,5-dibromothiophen-3-yl)-(5-methyloxolan-2-yl)methanone
SMILESCC1CCC(C(=O)c2cc(Br)sc2Br)O1
InChIInChI=1S/C10H10Br2O2S/c1-5-2-3-7(14-5)9(13)6-4-8(11)15-10(6)12/h4-5,7H,2-3H2,1H3
InChIKeyZCIVNFFLDWQEAN-UHFFFAOYSA-N
XLogP4.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.06
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,5-dibromothiophen-3-yl)-(5-methyloxolan-2-yl)methanone?
The IUPAC name of (2,5-dibromothiophen-3-yl)-(5-methyloxolan-2-yl)methanone (CID 81329910) is (2,5-dibromothiophen-3-yl)-(5-methyloxolan-2-yl)methanone.
What is the SMILES notation for (2,5-dibromothiophen-3-yl)-(5-methyloxolan-2-yl)methanone?
The canonical SMILES for (2,5-dibromothiophen-3-yl)-(5-methyloxolan-2-yl)methanone is CC1CCC(C(=O)c2cc(Br)sc2Br)O1.
What is the InChIKey of (2,5-dibromothiophen-3-yl)-(5-methyloxolan-2-yl)methanone?
The InChIKey is ZCIVNFFLDWQEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br2O2S/c1-5-2-3-7(14-5)9(13)6-4-8(11)15-10(6)12/h4-5,7H,2-3H2,1H3.
What are the key properties of (2,5-dibromothiophen-3-yl)-(5-methyloxolan-2-yl)methanone?
(2,5-dibromothiophen-3-yl)-(5-methyloxolan-2-yl)methanone has a molecular weight of 354.06 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dibromothiophen-3-yl)-(5-methyloxolan-2-yl)methanone is sourced from PubChem (CID 81329910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).