3-[(2-formyl-1-benzothiophen-3-yl)-dimethylsilyl]-1-benzothiophene-2-carbaldehyde

C20H16O2S2Si — CID 102393562

IUPAC3-[(2-formyl-1-benzothiophen-3-yl)-dimethylsilyl]-1-benzothiophene-2-carbaldehyde
SMILESC[Si](C)(c1c(C=O)sc2ccccc12)c1c(C=O)sc2ccccc12
InChIInChI=1S/C20H16O2S2Si/c1-25(2,19-13-7-3-5-9-15(13)23-17(19)11-21)20-14-8-4-6-10-16(14)24-18(20)12-22/h3-12H,1-2H3
InChIKeyZRPQQSFCLJVKEF-UHFFFAOYSA-N
MW380.57 g/mol
LogP4.56
Rot. Bonds4

About 3-[(2-formyl-1-benzothiophen-3-yl)-dimethylsilyl]-1-benzothiophene-2-carbaldehyde

3-[(2-formyl-1-benzothiophen-3-yl)-dimethylsilyl]-1-benzothiophene-2-carbaldehyde (PubChem CID 102393562) has the molecular formula C20H16O2S2Si and a molecular weight of 380.57 g/mol. Its IUPAC name is 3-[(2-formyl-1-benzothiophen-3-yl)-dimethylsilyl]-1-benzothiophene-2-carbaldehyde.

Molecular Properties

Compound Name3-[(2-formyl-1-benzothiophen-3-yl)-dimethylsilyl]-1-benzothiophene-2-carbaldehyde
PubChem CID102393562
Molecular FormulaC20H16O2S2Si
Molecular Weight380.57 g/mol
Exact Mass380.04
IUPAC Name3-[(2-formyl-1-benzothiophen-3-yl)-dimethylsilyl]-1-benzothiophene-2-carbaldehyde
SMILESC[Si](C)(c1c(C=O)sc2ccccc12)c1c(C=O)sc2ccccc12
InChIInChI=1S/C20H16O2S2Si/c1-25(2,19-13-7-3-5-9-15(13)23-17(19)11-21)20-14-8-4-6-10-16(14)24-18(20)12-22/h3-12H,1-2H3
InChIKeyZRPQQSFCLJVKEF-UHFFFAOYSA-N
XLogP4.56
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.57
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-formylbenzo[b]thiophene-3-selenol
CID 12506015
3-ethyl-1-benzothiophene-2-carbaldehyde
CID 82374273
3-nitro-1-benzothiophene-2-carbaldehyde
CID 11074576
3-(4-methylphenoxy)-1-benzothiophene-2-carbaldehyde
CID 141399703
2-methyl-1-benzothiophene-3-carbaldehyde
CID 3775467
3-[(4-methoxyphenyl)methyl]-1-benzothiophene-2-carbaldehyde
CID 138574709
3-methyl-2-(2-methylprop-1-enyl)-1-benzothiophene
CID 153139876
bis(dibenzothiophene);ethane
CID 143921746
(1Z,10Z,19Z,28Z)-9,12,27,30-tetrathianonacyclo[27.7.0.02,10.03,8.011,19.013,18.020,28.021,26.031,36]hexatriaconta-1,3,5,7,10,13,15,17,19,21,23,25,28,31,33,35-hexadecaene
CID 15554848
dibenzothiophene;formaldehyde
CID 20556925
dibenzothiophene-2-carbaldehyde
CID 641360
dibenzothiophene;methane
CID 162233710

Frequently Asked Questions

What is the IUPAC name of 3-[(2-formyl-1-benzothiophen-3-yl)-dimethylsilyl]-1-benzothiophene-2-carbaldehyde?
The IUPAC name of 3-[(2-formyl-1-benzothiophen-3-yl)-dimethylsilyl]-1-benzothiophene-2-carbaldehyde (CID 102393562) is 3-[(2-formyl-1-benzothiophen-3-yl)-dimethylsilyl]-1-benzothiophene-2-carbaldehyde.
What is the SMILES notation for 3-[(2-formyl-1-benzothiophen-3-yl)-dimethylsilyl]-1-benzothiophene-2-carbaldehyde?
The canonical SMILES for 3-[(2-formyl-1-benzothiophen-3-yl)-dimethylsilyl]-1-benzothiophene-2-carbaldehyde is C[Si](C)(c1c(C=O)sc2ccccc12)c1c(C=O)sc2ccccc12.
What is the InChIKey of 3-[(2-formyl-1-benzothiophen-3-yl)-dimethylsilyl]-1-benzothiophene-2-carbaldehyde?
The InChIKey is ZRPQQSFCLJVKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O2S2Si/c1-25(2,19-13-7-3-5-9-15(13)23-17(19)11-21)20-14-8-4-6-10-16(14)24-18(20)12-22/h3-12H,1-2H3.
What are the key properties of 3-[(2-formyl-1-benzothiophen-3-yl)-dimethylsilyl]-1-benzothiophene-2-carbaldehyde?
3-[(2-formyl-1-benzothiophen-3-yl)-dimethylsilyl]-1-benzothiophene-2-carbaldehyde has a molecular weight of 380.57 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-formyl-1-benzothiophen-3-yl)-dimethylsilyl]-1-benzothiophene-2-carbaldehyde is sourced from PubChem (CID 102393562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).