lithium 4,5-dibromothiophene-2-carboxylate

C5HBr2LiO2S — CID 19205739

IUPAClithium 4,5-dibromothiophene-2-carboxylate
SMILESO=C([O-])c1cc(Br)c(Br)s1.[Li+]
InChIInChI=1S/C5H2Br2O2S.Li/c6-2-1-3(5(8)9)10-4(2)7;/h1H,(H,8,9);/q;+1/p-1
InChIKeyDAJDTCFCBBDXCT-UHFFFAOYSA-M
MW291.88 g/mol
LogP-1.36
Rot. Bonds1

About lithium 4,5-dibromothiophene-2-carboxylate

lithium 4,5-dibromothiophene-2-carboxylate (PubChem CID 19205739) has the molecular formula C5HBr2LiO2S and a molecular weight of 291.88 g/mol. Its IUPAC name is lithium 4,5-dibromothiophene-2-carboxylate.

Molecular Properties

Compound Namelithium 4,5-dibromothiophene-2-carboxylate
PubChem CID19205739
Molecular FormulaC5HBr2LiO2S
Molecular Weight291.88 g/mol
Exact Mass289.82
IUPAC Namelithium 4,5-dibromothiophene-2-carboxylate
SMILESO=C([O-])c1cc(Br)c(Br)s1.[Li+]
InChIInChI=1S/C5H2Br2O2S.Li/c6-2-1-3(5(8)9)10-4(2)7;/h1H,(H,8,9);/q;+1/p-1
InChIKeyDAJDTCFCBBDXCT-UHFFFAOYSA-M
XLogP-1.36
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.88
LogP ≤ 5-1.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-dibromothiophene-2-carbonyl bromide
CID 15753564
4-bromo-5-ethylthiophene-2-carboxylate
CID 7019239
disodium;5-bromo-4-sulfinatothiophene-2-carboxylate
CID 165455869
4,5-dibromo-N-tert-butylthiophene-2-carboxamide
CID 15790561
1-(4,5-dibromothiophen-2-yl)-4,4-dimethylpentan-1-one
CID 114970028
1-(4,5-dibromothiophen-2-yl)-3-methylbut-3-en-1-one
CID 115780483
2-bromo-1-(4,5-dibromothiophen-2-yl)propan-1-one
CID 80532508
1-(4,5-dibromothiophen-2-yl)-4-ethylsulfonylbutan-1-one
CID 114974548
N-(2-amino-2-oxoethyl)-4,5-dibromothiophene-2-carboxamide
CID 60668533
1-(4,5-dibromothiophen-2-yl)-4-methylpent-4-en-1-one
CID 115802878
1-(4,5-dibromothiophen-2-yl)-3-methylbut-2-en-1-one
CID 115780757
4,5-dibromo-N-propan-2-yl-N-propylthiophene-2-carboxamide
CID 80536635

Frequently Asked Questions

What is the IUPAC name of lithium 4,5-dibromothiophene-2-carboxylate?
The IUPAC name of lithium 4,5-dibromothiophene-2-carboxylate (CID 19205739) is lithium 4,5-dibromothiophene-2-carboxylate.
What is the SMILES notation for lithium 4,5-dibromothiophene-2-carboxylate?
The canonical SMILES for lithium 4,5-dibromothiophene-2-carboxylate is O=C([O-])c1cc(Br)c(Br)s1.[Li+].
What is the InChIKey of lithium 4,5-dibromothiophene-2-carboxylate?
The InChIKey is DAJDTCFCBBDXCT-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H2Br2O2S.Li/c6-2-1-3(5(8)9)10-4(2)7;/h1H,(H,8,9);/q;+1/p-1.
What are the key properties of lithium 4,5-dibromothiophene-2-carboxylate?
lithium 4,5-dibromothiophene-2-carboxylate has a molecular weight of 291.88 g/mol, XLogP of -1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 4,5-dibromothiophene-2-carboxylate is sourced from PubChem (CID 19205739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).