zinc;ethoxymethanone;2H-thiophen-2-ide;hydrobromide

C7H9BrO2SZn — CID 87400704

IUPACzinc;ethoxymethanone;2H-thiophen-2-ide;hydrobromide
SMILESBr.CCO[C-]=O.[Zn+2].[c-]1cccs1
InChIInChI=1S/C4H3S.C3H5O2.BrH.Zn/c1-2-4-5-3-1;1-2-5-3-4;;/h1-3H;2H2,1H3;1H;/q2*-1;;+2
InChIKeyCSFVULMAAABITR-UHFFFAOYSA-N
MW302.51 g/mol
LogP2.21
Rot. Bonds2

About zinc;ethoxymethanone;2H-thiophen-2-ide;hydrobromide

zinc;ethoxymethanone;2H-thiophen-2-ide;hydrobromide (PubChem CID 87400704) has the molecular formula C7H9BrO2SZn and a molecular weight of 302.51 g/mol. Its IUPAC name is zinc;ethoxymethanone;2H-thiophen-2-ide;hydrobromide.

Molecular Properties

Compound Namezinc;ethoxymethanone;2H-thiophen-2-ide;hydrobromide
PubChem CID87400704
Molecular FormulaC7H9BrO2SZn
Molecular Weight302.51 g/mol
Exact Mass299.88
IUPAC Namezinc;ethoxymethanone;2H-thiophen-2-ide;hydrobromide
SMILESBr.CCO[C-]=O.[Zn+2].[c-]1cccs1
InChIInChI=1S/C4H3S.C3H5O2.BrH.Zn/c1-2-4-5-3-1;1-2-5-3-4;;/h1-3H;2H2,1H3;1H;/q2*-1;;+2
InChIKeyCSFVULMAAABITR-UHFFFAOYSA-N
XLogP2.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.51
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of zinc;ethoxymethanone;2H-thiophen-2-ide;hydrobromide?
The IUPAC name of zinc;ethoxymethanone;2H-thiophen-2-ide;hydrobromide (CID 87400704) is zinc;ethoxymethanone;2H-thiophen-2-ide;hydrobromide.
What is the SMILES notation for zinc;ethoxymethanone;2H-thiophen-2-ide;hydrobromide?
The canonical SMILES for zinc;ethoxymethanone;2H-thiophen-2-ide;hydrobromide is Br.CCO[C-]=O.[Zn+2].[c-]1cccs1.
What is the InChIKey of zinc;ethoxymethanone;2H-thiophen-2-ide;hydrobromide?
The InChIKey is CSFVULMAAABITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3S.C3H5O2.BrH.Zn/c1-2-4-5-3-1;1-2-5-3-4;;/h1-3H;2H2,1H3;1H;/q2*-1;;+2.
What are the key properties of zinc;ethoxymethanone;2H-thiophen-2-ide;hydrobromide?
zinc;ethoxymethanone;2H-thiophen-2-ide;hydrobromide has a molecular weight of 302.51 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;ethoxymethanone;2H-thiophen-2-ide;hydrobromide is sourced from PubChem (CID 87400704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).