(3,4-dibromothiophen-2-yl)-(5-methyloxolan-2-yl)methanone

C10H10Br2O2S — CID 81330613

IUPAC(3,4-dibromothiophen-2-yl)-(5-methyloxolan-2-yl)methanone
SMILESCC1CCC(C(=O)c2scc(Br)c2Br)O1
InChIInChI=1S/C10H10Br2O2S/c1-5-2-3-7(14-5)9(13)10-8(12)6(11)4-15-10/h4-5,7H,2-3H2,1H3
InChIKeyGBWZXTFCHPZHKG-UHFFFAOYSA-N
MW354.06 g/mol
LogP4.02
Rot. Bonds2

About (3,4-dibromothiophen-2-yl)-(5-methyloxolan-2-yl)methanone

(3,4-dibromothiophen-2-yl)-(5-methyloxolan-2-yl)methanone (PubChem CID 81330613) has the molecular formula C10H10Br2O2S and a molecular weight of 354.06 g/mol. Its IUPAC name is (3,4-dibromothiophen-2-yl)-(5-methyloxolan-2-yl)methanone.

Molecular Properties

Compound Name(3,4-dibromothiophen-2-yl)-(5-methyloxolan-2-yl)methanone
PubChem CID81330613
Molecular FormulaC10H10Br2O2S
Molecular Weight354.06 g/mol
Exact Mass351.88
IUPAC Name(3,4-dibromothiophen-2-yl)-(5-methyloxolan-2-yl)methanone
SMILESCC1CCC(C(=O)c2scc(Br)c2Br)O1
InChIInChI=1S/C10H10Br2O2S/c1-5-2-3-7(14-5)9(13)10-8(12)6(11)4-15-10/h4-5,7H,2-3H2,1H3
InChIKeyGBWZXTFCHPZHKG-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 (3,4-dibromothiophen-2-yl)-(5-methyloxolan-2-yl)methanone?
The IUPAC name of (3,4-dibromothiophen-2-yl)-(5-methyloxolan-2-yl)methanone (CID 81330613) is (3,4-dibromothiophen-2-yl)-(5-methyloxolan-2-yl)methanone.
What is the SMILES notation for (3,4-dibromothiophen-2-yl)-(5-methyloxolan-2-yl)methanone?
The canonical SMILES for (3,4-dibromothiophen-2-yl)-(5-methyloxolan-2-yl)methanone is CC1CCC(C(=O)c2scc(Br)c2Br)O1.
What is the InChIKey of (3,4-dibromothiophen-2-yl)-(5-methyloxolan-2-yl)methanone?
The InChIKey is GBWZXTFCHPZHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br2O2S/c1-5-2-3-7(14-5)9(13)10-8(12)6(11)4-15-10/h4-5,7H,2-3H2,1H3.
What are the key properties of (3,4-dibromothiophen-2-yl)-(5-methyloxolan-2-yl)methanone?
(3,4-dibromothiophen-2-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 (3,4-dibromothiophen-2-yl)-(5-methyloxolan-2-yl)methanone is sourced from PubChem (CID 81330613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).