bis(3-bromo-5-methyl-6H-cyclopenta[b]thiophen-6-yl)-dimethylsilane

C18H18Br2S2Si — CID 58897761

IUPACbis(3-bromo-5-methyl-6H-cyclopenta[b]thiophen-6-yl)-dimethylsilane
SMILESCC1=Cc2c(Br)csc2C1[Si](C)(C)C1C(C)=Cc2c(Br)csc21
InChIInChI=1S/C18H18Br2S2Si/c1-9-5-11-13(19)7-21-15(11)17(9)23(3,4)18-10(2)6-12-14(20)8-22-16(12)18/h5-8,17-18H,1-4H3
InChIKeyURTHLAZDNPNYOY-UHFFFAOYSA-N
MW486.37 g/mol
LogP7.82
Rot. Bonds2

About bis(3-bromo-5-methyl-6H-cyclopenta[b]thiophen-6-yl)-dimethylsilane

bis(3-bromo-5-methyl-6H-cyclopenta[b]thiophen-6-yl)-dimethylsilane (PubChem CID 58897761) has the molecular formula C18H18Br2S2Si and a molecular weight of 486.37 g/mol. Its IUPAC name is bis(3-bromo-5-methyl-6H-cyclopenta[b]thiophen-6-yl)-dimethylsilane.

Molecular Properties

Compound Namebis(3-bromo-5-methyl-6H-cyclopenta[b]thiophen-6-yl)-dimethylsilane
PubChem CID58897761
Molecular FormulaC18H18Br2S2Si
Molecular Weight486.37 g/mol
Exact Mass483.90
IUPAC Namebis(3-bromo-5-methyl-6H-cyclopenta[b]thiophen-6-yl)-dimethylsilane
SMILESCC1=Cc2c(Br)csc2C1[Si](C)(C)C1C(C)=Cc2c(Br)csc21
InChIInChI=1S/C18H18Br2S2Si/c1-9-5-11-13(19)7-21-15(11)17(9)23(3,4)18-10(2)6-12-14(20)8-22-16(12)18/h5-8,17-18H,1-4H3
InChIKeyURTHLAZDNPNYOY-UHFFFAOYSA-N
XLogP7.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.37
LogP ≤ 57.82
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(3-bromo-5-methyl-6H-cyclopenta[b]thiophen-6-yl)-dimethylsilane?
The IUPAC name of bis(3-bromo-5-methyl-6H-cyclopenta[b]thiophen-6-yl)-dimethylsilane (CID 58897761) is bis(3-bromo-5-methyl-6H-cyclopenta[b]thiophen-6-yl)-dimethylsilane.
What is the SMILES notation for bis(3-bromo-5-methyl-6H-cyclopenta[b]thiophen-6-yl)-dimethylsilane?
The canonical SMILES for bis(3-bromo-5-methyl-6H-cyclopenta[b]thiophen-6-yl)-dimethylsilane is CC1=Cc2c(Br)csc2C1[Si](C)(C)C1C(C)=Cc2c(Br)csc21.
What is the InChIKey of bis(3-bromo-5-methyl-6H-cyclopenta[b]thiophen-6-yl)-dimethylsilane?
The InChIKey is URTHLAZDNPNYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Br2S2Si/c1-9-5-11-13(19)7-21-15(11)17(9)23(3,4)18-10(2)6-12-14(20)8-22-16(12)18/h5-8,17-18H,1-4H3.
What are the key properties of bis(3-bromo-5-methyl-6H-cyclopenta[b]thiophen-6-yl)-dimethylsilane?
bis(3-bromo-5-methyl-6H-cyclopenta[b]thiophen-6-yl)-dimethylsilane has a molecular weight of 486.37 g/mol, XLogP of 7.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-bromo-5-methyl-6H-cyclopenta[b]thiophen-6-yl)-dimethylsilane is sourced from PubChem (CID 58897761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).