bis(2-bromo-1-benzothiophen-5-yl)silane

C16H10Br2S2Si — CID 137330752

IUPACbis(2-bromo-1-benzothiophen-5-yl)silane
SMILESBrc1cc2cc([SiH2]c3ccc4sc(Br)cc4c3)ccc2s1
InChIInChI=1S/C16H10Br2S2Si/c17-15-7-9-5-11(1-3-13(9)19-15)21-12-2-4-14-10(6-12)8-16(18)20-14/h1-8H,21H2
InChIKeyPVTKNTWKYHJFDB-UHFFFAOYSA-N
MW454.28 g/mol
LogP4.76
Rot. Bonds2

About bis(2-bromo-1-benzothiophen-5-yl)silane

bis(2-bromo-1-benzothiophen-5-yl)silane (PubChem CID 137330752) has the molecular formula C16H10Br2S2Si and a molecular weight of 454.28 g/mol. Its IUPAC name is bis(2-bromo-1-benzothiophen-5-yl)silane.

Molecular Properties

Compound Namebis(2-bromo-1-benzothiophen-5-yl)silane
PubChem CID137330752
Molecular FormulaC16H10Br2S2Si
Molecular Weight454.28 g/mol
Exact Mass451.84
IUPAC Namebis(2-bromo-1-benzothiophen-5-yl)silane
SMILESBrc1cc2cc([SiH2]c3ccc4sc(Br)cc4c3)ccc2s1
InChIInChI=1S/C16H10Br2S2Si/c17-15-7-9-5-11(1-3-13(9)19-15)21-12-2-4-14-10(6-12)8-16(18)20-14/h1-8H,21H2
InChIKeyPVTKNTWKYHJFDB-UHFFFAOYSA-N
XLogP4.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.28
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(2-bromo-1-benzothiophen-5-yl)silane?
The IUPAC name of bis(2-bromo-1-benzothiophen-5-yl)silane (CID 137330752) is bis(2-bromo-1-benzothiophen-5-yl)silane.
What is the SMILES notation for bis(2-bromo-1-benzothiophen-5-yl)silane?
The canonical SMILES for bis(2-bromo-1-benzothiophen-5-yl)silane is Brc1cc2cc([SiH2]c3ccc4sc(Br)cc4c3)ccc2s1.
What is the InChIKey of bis(2-bromo-1-benzothiophen-5-yl)silane?
The InChIKey is PVTKNTWKYHJFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Br2S2Si/c17-15-7-9-5-11(1-3-13(9)19-15)21-12-2-4-14-10(6-12)8-16(18)20-14/h1-8H,21H2.
What are the key properties of bis(2-bromo-1-benzothiophen-5-yl)silane?
bis(2-bromo-1-benzothiophen-5-yl)silane has a molecular weight of 454.28 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-bromo-1-benzothiophen-5-yl)silane is sourced from PubChem (CID 137330752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).