methyl 4,5-dibromothiophene-2-carboximidate

C6H5Br2NOS — CID 102843306

IUPACmethyl 4,5-dibromothiophene-2-carboximidate
SMILES[H]/N=C(\OC)c1cc(Br)c(Br)s1
InChIInChI=1S/C6H5Br2NOS/c1-10-6(9)4-2-3(7)5(8)11-4/h2,9H,1H3/b9-6-
InChIKeyHZNQLSJGBCDOFP-TWGQIWQCSA-N
MW298.99 g/mol
LogP3.24
Rot. Bonds1

About methyl 4,5-dibromothiophene-2-carboximidate

methyl 4,5-dibromothiophene-2-carboximidate (PubChem CID 102843306) has the molecular formula C6H5Br2NOS and a molecular weight of 298.99 g/mol. Its IUPAC name is methyl 4,5-dibromothiophene-2-carboximidate.

Molecular Properties

Compound Namemethyl 4,5-dibromothiophene-2-carboximidate
PubChem CID102843306
Molecular FormulaC6H5Br2NOS
Molecular Weight298.99 g/mol
Exact Mass296.85
IUPAC Namemethyl 4,5-dibromothiophene-2-carboximidate
SMILES[H]/N=C(\OC)c1cc(Br)c(Br)s1
InChIInChI=1S/C6H5Br2NOS/c1-10-6(9)4-2-3(7)5(8)11-4/h2,9H,1H3/b9-6-
InChIKeyHZNQLSJGBCDOFP-TWGQIWQCSA-N
XLogP3.24
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.99
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

Methyl 2-thiophenecarboximidate
CID 398427
O-methyl 5-bromothiophene-2-carbothioate
CID 19768686
5-Bromo-thiophene 2-carboximidic acid ethyl ester
CID 58371866
Methyl 5-bromothiophene-2-carboximidate
CID 60985115
5-Bromothiophene-2-carboximidic acid ethyl ester hydrochloride
CID 69314131
Ethyl 3-bromothiophene-2-carboximidate;hydrochloride
CID 69381580
2-(4,5-dibromothiophen-2-yl)-4,4-dimethyl-5H-1,3-oxazole
CID 173205844
Methyl 4-bromothiophene-2-carboximidate
CID 60985228
Ethyl 4-bromothiophene-2-carboximidate
CID 60985249
Ethyl 3-bromothiophene-2-carboximidate
CID 69381581
1-(5-Bromothiophen-2-yl)ethyl propanimidate
CID 71431405
5-(4,5-dibromothiophen-2-yl)-3H-1,3,4-oxadiazole-2-thione
CID 80537920

Frequently Asked Questions

What is the IUPAC name of methyl 4,5-dibromothiophene-2-carboximidate?
The IUPAC name of methyl 4,5-dibromothiophene-2-carboximidate (CID 102843306) is methyl 4,5-dibromothiophene-2-carboximidate.
What is the SMILES notation for methyl 4,5-dibromothiophene-2-carboximidate?
The canonical SMILES for methyl 4,5-dibromothiophene-2-carboximidate is [H]/N=C(\OC)c1cc(Br)c(Br)s1.
What is the InChIKey of methyl 4,5-dibromothiophene-2-carboximidate?
The InChIKey is HZNQLSJGBCDOFP-TWGQIWQCSA-N. The full InChI is InChI=1S/C6H5Br2NOS/c1-10-6(9)4-2-3(7)5(8)11-4/h2,9H,1H3/b9-6-.
What are the key properties of methyl 4,5-dibromothiophene-2-carboximidate?
methyl 4,5-dibromothiophene-2-carboximidate has a molecular weight of 298.99 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,5-dibromothiophene-2-carboximidate is sourced from PubChem (CID 102843306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).