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

C10H10Br2O2S — CID 79758228

IUPAC(2,5-dibromothiophen-3-yl)-(2-methyloxolan-3-yl)methanone
SMILESCC1OCCC1C(=O)c1cc(Br)sc1Br
InChIInChI=1S/C10H10Br2O2S/c1-5-6(2-3-14-5)9(13)7-4-8(11)15-10(7)12/h4-6H,2-3H2,1H3
InChIKeyRLCTYEPWHRTHCQ-UHFFFAOYSA-N
MW354.06 g/mol
LogP3.88
Rot. Bonds2

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

(2,5-dibromothiophen-3-yl)-(2-methyloxolan-3-yl)methanone (PubChem CID 79758228) has the molecular formula C10H10Br2O2S and a molecular weight of 354.06 g/mol. Its IUPAC name is (2,5-dibromothiophen-3-yl)-(2-methyloxolan-3-yl)methanone.

Molecular Properties

Compound Name(2,5-dibromothiophen-3-yl)-(2-methyloxolan-3-yl)methanone
PubChem CID79758228
Molecular FormulaC10H10Br2O2S
Molecular Weight354.06 g/mol
Exact Mass351.88
IUPAC Name(2,5-dibromothiophen-3-yl)-(2-methyloxolan-3-yl)methanone
SMILESCC1OCCC1C(=O)c1cc(Br)sc1Br
InChIInChI=1S/C10H10Br2O2S/c1-5-6(2-3-14-5)9(13)7-4-8(11)15-10(7)12/h4-6H,2-3H2,1H3
InChIKeyRLCTYEPWHRTHCQ-UHFFFAOYSA-N
XLogP3.88
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 ≤ 53.88
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)-(2-methyloxolan-3-yl)methanone?
The IUPAC name of (2,5-dibromothiophen-3-yl)-(2-methyloxolan-3-yl)methanone (CID 79758228) is (2,5-dibromothiophen-3-yl)-(2-methyloxolan-3-yl)methanone.
What is the SMILES notation for (2,5-dibromothiophen-3-yl)-(2-methyloxolan-3-yl)methanone?
The canonical SMILES for (2,5-dibromothiophen-3-yl)-(2-methyloxolan-3-yl)methanone is CC1OCCC1C(=O)c1cc(Br)sc1Br.
What is the InChIKey of (2,5-dibromothiophen-3-yl)-(2-methyloxolan-3-yl)methanone?
The InChIKey is RLCTYEPWHRTHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br2O2S/c1-5-6(2-3-14-5)9(13)7-4-8(11)15-10(7)12/h4-6H,2-3H2,1H3.
What are the key properties of (2,5-dibromothiophen-3-yl)-(2-methyloxolan-3-yl)methanone?
(2,5-dibromothiophen-3-yl)-(2-methyloxolan-3-yl)methanone has a molecular weight of 354.06 g/mol, XLogP of 3.88, 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)-(2-methyloxolan-3-yl)methanone is sourced from PubChem (CID 79758228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).