2,7-bis(trimethylsilyl)thieno[3,2-e][1]benzothiol-4-ol

C16H22OS2Si2 — CID 72696096

IUPAC2,7-bis(trimethylsilyl)thieno[3,2-e][1]benzothiol-4-ol
SMILESC[Si](C)(C)c1cc2c(cc(O)c3sc([Si](C)(C)C)cc32)s1
InChIInChI=1S/C16H22OS2Si2/c1-20(2,3)14-7-10-11-8-15(21(4,5)6)19-16(11)12(17)9-13(10)18-14/h7-9,17H,1-6H3
InChIKeyPWSQNBLTBYUBIW-UHFFFAOYSA-N
MW350.66 g/mol
LogP4.91
Rot. Bonds2

About 2,7-bis(trimethylsilyl)thieno[3,2-e][1]benzothiol-4-ol

2,7-bis(trimethylsilyl)thieno[3,2-e][1]benzothiol-4-ol (PubChem CID 72696096) has the molecular formula C16H22OS2Si2 and a molecular weight of 350.66 g/mol. Its IUPAC name is 2,7-bis(trimethylsilyl)thieno[3,2-e][1]benzothiol-4-ol.

Molecular Properties

Compound Name2,7-bis(trimethylsilyl)thieno[3,2-e][1]benzothiol-4-ol
PubChem CID72696096
Molecular FormulaC16H22OS2Si2
Molecular Weight350.66 g/mol
Exact Mass350.07
IUPAC Name2,7-bis(trimethylsilyl)thieno[3,2-e][1]benzothiol-4-ol
SMILESC[Si](C)(C)c1cc2c(cc(O)c3sc([Si](C)(C)C)cc32)s1
InChIInChI=1S/C16H22OS2Si2/c1-20(2,3)14-7-10-11-8-15(21(4,5)6)19-16(11)12(17)9-13(10)18-14/h7-9,17H,1-6H3
InChIKeyPWSQNBLTBYUBIW-UHFFFAOYSA-N
XLogP4.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.66
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2,7-bis(trimethylsilyl)thieno[3,2-e][1]benzothiol-4-ol?
The IUPAC name of 2,7-bis(trimethylsilyl)thieno[3,2-e][1]benzothiol-4-ol (CID 72696096) is 2,7-bis(trimethylsilyl)thieno[3,2-e][1]benzothiol-4-ol.
What is the SMILES notation for 2,7-bis(trimethylsilyl)thieno[3,2-e][1]benzothiol-4-ol?
The canonical SMILES for 2,7-bis(trimethylsilyl)thieno[3,2-e][1]benzothiol-4-ol is C[Si](C)(C)c1cc2c(cc(O)c3sc([Si](C)(C)C)cc32)s1.
What is the InChIKey of 2,7-bis(trimethylsilyl)thieno[3,2-e][1]benzothiol-4-ol?
The InChIKey is PWSQNBLTBYUBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22OS2Si2/c1-20(2,3)14-7-10-11-8-15(21(4,5)6)19-16(11)12(17)9-13(10)18-14/h7-9,17H,1-6H3.
What are the key properties of 2,7-bis(trimethylsilyl)thieno[3,2-e][1]benzothiol-4-ol?
2,7-bis(trimethylsilyl)thieno[3,2-e][1]benzothiol-4-ol has a molecular weight of 350.66 g/mol, XLogP of 4.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis(trimethylsilyl)thieno[3,2-e][1]benzothiol-4-ol is sourced from PubChem (CID 72696096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).