(3,4-dibromothiophen-2-yl)-(oxolan-2-yl)methanone

C9H8Br2O2S — CID 79602229

IUPAC(3,4-dibromothiophen-2-yl)-(oxolan-2-yl)methanone
SMILESO=C(c1scc(Br)c1Br)C1CCCO1
InChIInChI=1S/C9H8Br2O2S/c10-5-4-14-9(7(5)11)8(12)6-2-1-3-13-6/h4,6H,1-3H2
InChIKeyLUNASBQJNKVUBL-UHFFFAOYSA-N
MW340.04 g/mol
LogP3.63
Rot. Bonds2

About (3,4-dibromothiophen-2-yl)-(oxolan-2-yl)methanone

(3,4-dibromothiophen-2-yl)-(oxolan-2-yl)methanone (PubChem CID 79602229) has the molecular formula C9H8Br2O2S and a molecular weight of 340.04 g/mol. Its IUPAC name is (3,4-dibromothiophen-2-yl)-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name(3,4-dibromothiophen-2-yl)-(oxolan-2-yl)methanone
PubChem CID79602229
Molecular FormulaC9H8Br2O2S
Molecular Weight340.04 g/mol
Exact Mass337.86
IUPAC Name(3,4-dibromothiophen-2-yl)-(oxolan-2-yl)methanone
SMILESO=C(c1scc(Br)c1Br)C1CCCO1
InChIInChI=1S/C9H8Br2O2S/c10-5-4-14-9(7(5)11)8(12)6-2-1-3-13-6/h4,6H,1-3H2
InChIKeyLUNASBQJNKVUBL-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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Related Compounds

(4-bromothiophen-3-yl)-(oxolan-2-yl)methanone
CID 79596386
cyclooctyl-(3,4-dibromothiophen-2-yl)methanone
CID 79602537
(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(oxolan-2-yl)methanone
CID 43340552
(3-methylthiophen-2-yl)-(oxan-2-yl)methanone
CID 62214771
(2-bromo-6-chlorophenyl)-(oxolan-2-yl)methanone
CID 130505775
(3-bromo-2-fluorophenyl)-[(2S)-oxolan-2-yl]methanone
CID 138750762
(5-bromo-4-chlorothiophen-2-yl)-(oxolan-2-yl)methanone
CID 80531560
4-methyl-3-[[(2S)-oxolane-2-carbonyl]amino]thiophene-2-carboxylic acid
CID 104983067
1-benzothiophen-3-yl(oxolan-2-yl)methanone
CID 43161875
(2S)-N-[(4-bromothiophen-2-yl)methyl]oxolane-2-carboxamide
CID 103872325
methyl 4-methyl-3-(oxolane-2-carbonylamino)thiophene-2-carboxylate
CID 114916149
3,4-dibromothiophene-2-carboxylic acid
CID 625409

Frequently Asked Questions

What is the IUPAC name of (3,4-dibromothiophen-2-yl)-(oxolan-2-yl)methanone?
The IUPAC name of (3,4-dibromothiophen-2-yl)-(oxolan-2-yl)methanone (CID 79602229) is (3,4-dibromothiophen-2-yl)-(oxolan-2-yl)methanone.
What is the SMILES notation for (3,4-dibromothiophen-2-yl)-(oxolan-2-yl)methanone?
The canonical SMILES for (3,4-dibromothiophen-2-yl)-(oxolan-2-yl)methanone is O=C(c1scc(Br)c1Br)C1CCCO1.
What is the InChIKey of (3,4-dibromothiophen-2-yl)-(oxolan-2-yl)methanone?
The InChIKey is LUNASBQJNKVUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Br2O2S/c10-5-4-14-9(7(5)11)8(12)6-2-1-3-13-6/h4,6H,1-3H2.
What are the key properties of (3,4-dibromothiophen-2-yl)-(oxolan-2-yl)methanone?
(3,4-dibromothiophen-2-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 (3,4-dibromothiophen-2-yl)-(oxolan-2-yl)methanone is sourced from PubChem (CID 79602229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).