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

C9H8Br2O2S — CID 43344960

IUPAC(2,5-dibromothiophen-3-yl)-(oxolan-2-yl)methanone
SMILESO=C(c1cc(Br)sc1Br)C1CCCO1
InChIInChI=1S/C9H8Br2O2S/c10-7-4-5(9(11)14-7)8(12)6-2-1-3-13-6/h4,6H,1-3H2
InChIKeyKYXXBKMOBHHAHV-UHFFFAOYSA-N
MW340.04 g/mol
LogP3.63
Rot. Bonds2

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

(2,5-dibromothiophen-3-yl)-(oxolan-2-yl)methanone (PubChem CID 43344960) has the molecular formula C9H8Br2O2S and a molecular weight of 340.04 g/mol. Its IUPAC name is (2,5-dibromothiophen-3-yl)-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name(2,5-dibromothiophen-3-yl)-(oxolan-2-yl)methanone
PubChem CID43344960
Molecular FormulaC9H8Br2O2S
Molecular Weight340.04 g/mol
Exact Mass337.86
IUPAC Name(2,5-dibromothiophen-3-yl)-(oxolan-2-yl)methanone
SMILESO=C(c1cc(Br)sc1Br)C1CCCO1
InChIInChI=1S/C9H8Br2O2S/c10-7-4-5(9(11)14-7)8(12)6-2-1-3-13-6/h4,6H,1-3H2
InChIKeyKYXXBKMOBHHAHV-UHFFFAOYSA-N
XLogP3.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.04
LogP ≤ 53.63
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)-(oxolan-2-yl)methanone?
The IUPAC name of (2,5-dibromothiophen-3-yl)-(oxolan-2-yl)methanone (CID 43344960) is (2,5-dibromothiophen-3-yl)-(oxolan-2-yl)methanone.
What is the SMILES notation for (2,5-dibromothiophen-3-yl)-(oxolan-2-yl)methanone?
The canonical SMILES for (2,5-dibromothiophen-3-yl)-(oxolan-2-yl)methanone is O=C(c1cc(Br)sc1Br)C1CCCO1.
What is the InChIKey of (2,5-dibromothiophen-3-yl)-(oxolan-2-yl)methanone?
The InChIKey is KYXXBKMOBHHAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Br2O2S/c10-7-4-5(9(11)14-7)8(12)6-2-1-3-13-6/h4,6H,1-3H2.
What are the key properties of (2,5-dibromothiophen-3-yl)-(oxolan-2-yl)methanone?
(2,5-dibromothiophen-3-yl)-(oxolan-2-yl)methanone has a molecular weight of 340.04 g/mol, XLogP of 3.63, 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)-(oxolan-2-yl)methanone is sourced from PubChem (CID 43344960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).