ethyl 3-bromothiophene-2-carboximidate;hydrochloride

C7H9BrClNOS — CID 69381580

IUPACethyl 3-bromothiophene-2-carboximidate;hydrochloride
SMILESCl.[H]/N=C(\OCC)c1sccc1Br
InChIInChI=1S/C7H8BrNOS.ClH/c1-2-10-7(9)6-5(8)3-4-11-6;/h3-4,9H,2H2,1H3;1H/b9-7-;
InChIKeyPINFHMZINIEZTG-VILQZVERSA-N
MW270.58 g/mol
LogP3.29
Rot. Bonds2

About ethyl 3-bromothiophene-2-carboximidate;hydrochloride

ethyl 3-bromothiophene-2-carboximidate;hydrochloride (PubChem CID 69381580) has the molecular formula C7H9BrClNOS and a molecular weight of 270.58 g/mol. Its IUPAC name is ethyl 3-bromothiophene-2-carboximidate;hydrochloride.

Molecular Properties

Compound Nameethyl 3-bromothiophene-2-carboximidate;hydrochloride
PubChem CID69381580
Molecular FormulaC7H9BrClNOS
Molecular Weight270.58 g/mol
Exact Mass268.93
IUPAC Nameethyl 3-bromothiophene-2-carboximidate;hydrochloride
SMILESCl.[H]/N=C(\OCC)c1sccc1Br
InChIInChI=1S/C7H8BrNOS.ClH/c1-2-10-7(9)6-5(8)3-4-11-6;/h3-4,9H,2H2,1H3;1H/b9-7-;
InChIKeyPINFHMZINIEZTG-VILQZVERSA-N
XLogP3.29
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.58
LogP ≤ 53.29
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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Frequently Asked Questions

What is the IUPAC name of ethyl 3-bromothiophene-2-carboximidate;hydrochloride?
The IUPAC name of ethyl 3-bromothiophene-2-carboximidate;hydrochloride (CID 69381580) is ethyl 3-bromothiophene-2-carboximidate;hydrochloride.
What is the SMILES notation for ethyl 3-bromothiophene-2-carboximidate;hydrochloride?
The canonical SMILES for ethyl 3-bromothiophene-2-carboximidate;hydrochloride is Cl.[H]/N=C(\OCC)c1sccc1Br.
What is the InChIKey of ethyl 3-bromothiophene-2-carboximidate;hydrochloride?
The InChIKey is PINFHMZINIEZTG-VILQZVERSA-N. The full InChI is InChI=1S/C7H8BrNOS.ClH/c1-2-10-7(9)6-5(8)3-4-11-6;/h3-4,9H,2H2,1H3;1H/b9-7-;.
What are the key properties of ethyl 3-bromothiophene-2-carboximidate;hydrochloride?
ethyl 3-bromothiophene-2-carboximidate;hydrochloride has a molecular weight of 270.58 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-bromothiophene-2-carboximidate;hydrochloride is sourced from PubChem (CID 69381580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).