bis(3-bromothiophen-2-yl)-dibutylsilane

C16H22Br2S2Si — CID 139900679

IUPACbis(3-bromothiophen-2-yl)-dibutylsilane
SMILESCCCC[Si](CCCC)(c1sccc1Br)c1sccc1Br
InChIInChI=1S/C16H22Br2S2Si/c1-3-5-11-21(12-6-4-2,15-13(17)7-9-19-15)16-14(18)8-10-20-16/h7-10H,3-6,11-12H2,1-2H3
InChIKeyPOEXBNXUPHLLSU-UHFFFAOYSA-N
MW466.38 g/mol
LogP6.50
Rot. Bonds8

About bis(3-bromothiophen-2-yl)-dibutylsilane

bis(3-bromothiophen-2-yl)-dibutylsilane (PubChem CID 139900679) has the molecular formula C16H22Br2S2Si and a molecular weight of 466.38 g/mol. Its IUPAC name is bis(3-bromothiophen-2-yl)-dibutylsilane.

Molecular Properties

Compound Namebis(3-bromothiophen-2-yl)-dibutylsilane
PubChem CID139900679
Molecular FormulaC16H22Br2S2Si
Molecular Weight466.38 g/mol
Exact Mass463.93
IUPAC Namebis(3-bromothiophen-2-yl)-dibutylsilane
SMILESCCCC[Si](CCCC)(c1sccc1Br)c1sccc1Br
InChIInChI=1S/C16H22Br2S2Si/c1-3-5-11-21(12-6-4-2,15-13(17)7-9-19-15)16-14(18)8-10-20-16/h7-10H,3-6,11-12H2,1-2H3
InChIKeyPOEXBNXUPHLLSU-UHFFFAOYSA-N
XLogP6.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.38
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis(3-bromothiophen-2-yl)-methyl-trimethylsilyloxysilane
CID 156600142
3-bromo-2-(butylsulfanylmethyl)thiophene
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(4-bromophenyl)-tributylsilane
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N-[(3-bromothiophen-2-yl)methyl]pentanamide
CID 78986100
1-(3-bromothiophen-2-yl)tridecan-1-amine
CID 115846566
(3-hexylthiophen-2-yl)-trimethylsilane
CID 11447834
dimagnesium;dibutyl-bis(2H-thiophen-2-id-5-yl)silane;dibromide
CID 155899539
1-(3-bromothiophen-2-yl)-N-methyloctan-1-amine
CID 80534752
1-(3-bromothiophen-2-yl)heptan-2-ol
CID 65149568
3-bromo-N,N-dipropylthiophene-2-carboxamide
CID 55028228
3-bromo-N-butyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 60778389
2-bromo-3-dodecylthiophene
CID 10426816

Frequently Asked Questions

What is the IUPAC name of bis(3-bromothiophen-2-yl)-dibutylsilane?
The IUPAC name of bis(3-bromothiophen-2-yl)-dibutylsilane (CID 139900679) is bis(3-bromothiophen-2-yl)-dibutylsilane.
What is the SMILES notation for bis(3-bromothiophen-2-yl)-dibutylsilane?
The canonical SMILES for bis(3-bromothiophen-2-yl)-dibutylsilane is CCCC[Si](CCCC)(c1sccc1Br)c1sccc1Br.
What is the InChIKey of bis(3-bromothiophen-2-yl)-dibutylsilane?
The InChIKey is POEXBNXUPHLLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Br2S2Si/c1-3-5-11-21(12-6-4-2,15-13(17)7-9-19-15)16-14(18)8-10-20-16/h7-10H,3-6,11-12H2,1-2H3.
What are the key properties of bis(3-bromothiophen-2-yl)-dibutylsilane?
bis(3-bromothiophen-2-yl)-dibutylsilane has a molecular weight of 466.38 g/mol, XLogP of 6.50, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-bromothiophen-2-yl)-dibutylsilane is sourced from PubChem (CID 139900679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).