bromozinc(1+);4-hexyl-2H-thiophen-2-ide;hydrobromide

C10H16Br2SZn — CID 174728201

IUPACbromozinc(1+);4-hexyl-2H-thiophen-2-ide;hydrobromide
SMILESBr.CCCCCCc1c[c-]sc1.[Zn+]Br
InChIInChI=1S/C10H15S.2BrH.Zn/c1-2-3-4-5-6-10-7-8-11-9-10;;;/h7,9H,2-6H2,1H3;2*1H;/q-1;;;+2/p-1
InChIKeyNYUVPNGVEHURMW-UHFFFAOYSA-M
MW393.50 g/mol
LogP5.09
Rot. Bonds5

About bromozinc(1+);4-hexyl-2H-thiophen-2-ide;hydrobromide

bromozinc(1+);4-hexyl-2H-thiophen-2-ide;hydrobromide (PubChem CID 174728201) has the molecular formula C10H16Br2SZn and a molecular weight of 393.50 g/mol. Its IUPAC name is bromozinc(1+);4-hexyl-2H-thiophen-2-ide;hydrobromide.

Molecular Properties

Compound Namebromozinc(1+);4-hexyl-2H-thiophen-2-ide;hydrobromide
PubChem CID174728201
Molecular FormulaC10H16Br2SZn
Molecular Weight393.50 g/mol
Exact Mass389.86
IUPAC Namebromozinc(1+);4-hexyl-2H-thiophen-2-ide;hydrobromide
SMILESBr.CCCCCCc1c[c-]sc1.[Zn+]Br
InChIInChI=1S/C10H15S.2BrH.Zn/c1-2-3-4-5-6-10-7-8-11-9-10;;;/h7,9H,2-6H2,1H3;2*1H;/q-1;;;+2/p-1
InChIKeyNYUVPNGVEHURMW-UHFFFAOYSA-M
XLogP5.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.50
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 bromozinc(1+);4-hexyl-2H-thiophen-2-ide;hydrobromide?
The IUPAC name of bromozinc(1+);4-hexyl-2H-thiophen-2-ide;hydrobromide (CID 174728201) is bromozinc(1+);4-hexyl-2H-thiophen-2-ide;hydrobromide.
What is the SMILES notation for bromozinc(1+);4-hexyl-2H-thiophen-2-ide;hydrobromide?
The canonical SMILES for bromozinc(1+);4-hexyl-2H-thiophen-2-ide;hydrobromide is Br.CCCCCCc1c[c-]sc1.[Zn+]Br.
What is the InChIKey of bromozinc(1+);4-hexyl-2H-thiophen-2-ide;hydrobromide?
The InChIKey is NYUVPNGVEHURMW-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H15S.2BrH.Zn/c1-2-3-4-5-6-10-7-8-11-9-10;;;/h7,9H,2-6H2,1H3;2*1H;/q-1;;;+2/p-1.
What are the key properties of bromozinc(1+);4-hexyl-2H-thiophen-2-ide;hydrobromide?
bromozinc(1+);4-hexyl-2H-thiophen-2-ide;hydrobromide has a molecular weight of 393.50 g/mol, XLogP of 5.09, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromozinc(1+);4-hexyl-2H-thiophen-2-ide;hydrobromide is sourced from PubChem (CID 174728201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).