tert-butyl-[[2-chloro-3-(2-methylphenyl)-1-benzothiophen-5-yl]methoxy]-dimethylsilane

C22H27ClOSSi — CID 140813665

IUPACtert-butyl-[[2-chloro-3-(2-methylphenyl)-1-benzothiophen-5-yl]methoxy]-dimethylsilane
SMILESCc1ccccc1-c1c(Cl)sc2ccc(CO[Si](C)(C)C(C)(C)C)cc12
InChIInChI=1S/C22H27ClOSSi/c1-15-9-7-8-10-17(15)20-18-13-16(11-12-19(18)25-21(20)23)14-24-26(5,6)22(2,3)4/h7-13H,14H2,1-6H3
InChIKeyRGJVRCARZWXZSQ-UHFFFAOYSA-N
MW403.06 g/mol
LogP8.05
Rot. Bonds4

About tert-butyl-[[2-chloro-3-(2-methylphenyl)-1-benzothiophen-5-yl]methoxy]-dimethylsilane

tert-butyl-[[2-chloro-3-(2-methylphenyl)-1-benzothiophen-5-yl]methoxy]-dimethylsilane (PubChem CID 140813665) has the molecular formula C22H27ClOSSi and a molecular weight of 403.06 g/mol. Its IUPAC name is tert-butyl-[[2-chloro-3-(2-methylphenyl)-1-benzothiophen-5-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[2-chloro-3-(2-methylphenyl)-1-benzothiophen-5-yl]methoxy]-dimethylsilane
PubChem CID140813665
Molecular FormulaC22H27ClOSSi
Molecular Weight403.06 g/mol
Exact Mass402.12
IUPAC Nametert-butyl-[[2-chloro-3-(2-methylphenyl)-1-benzothiophen-5-yl]methoxy]-dimethylsilane
SMILESCc1ccccc1-c1c(Cl)sc2ccc(CO[Si](C)(C)C(C)(C)C)cc12
InChIInChI=1S/C22H27ClOSSi/c1-15-9-7-8-10-17(15)20-18-13-16(11-12-19(18)25-21(20)23)14-24-26(5,6)22(2,3)4/h7-13H,14H2,1-6H3
InChIKeyRGJVRCARZWXZSQ-UHFFFAOYSA-N
XLogP8.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.06
LogP ≤ 58.05
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

Tert-butyl-dimethyl-[[3-(2-methylphenyl)-2-(trifluoromethyl)-1-benzothiophen-5-yl]methoxy]silane
CID 140813654
Tert-butyl-[[2-fluoro-3-(2-methylphenyl)-1-benzothiophen-5-yl]methoxy]-dimethylsilane
CID 140813655
Tert-butyl-dimethyl-[(2-phenyl-1-benzothiophen-3-yl)methoxy]silane
CID 11566560
Tert-butyl-(dibenzothiophen-1-ylmethoxy)-dimethylsilane
CID 54534903
Butyl-(dibenzothiophen-1-ylmethoxy)-dimethylsilane
CID 54555747
Tert-butyl[2-(2-chloronaphtho[2,1-b]thien-8-yl)-1,1-dimethylethoxy]dimethylsilane
CID 68938362
(E)-tert-butyl((1-(3-chlorobenzo[b]thiophen-2-yl)-4-iodobut-3-en-2-yl)oxy)dimethylsilane
CID 131736288
[2-Methyl-3-(2-methylphenyl)-1-benzothiophen-5-yl]methanol
CID 131986145
[2-Chloro-3-(2-methylphenyl)-1-benzothiophen-5-yl]methanol
CID 131986209
[2-Bromo-3-(2-methylphenyl)-1-benzothiophen-5-yl]methoxy-tert-butyl-dimethylsilane
CID 140813650
Tert-butyl-[[2-iodo-3-(2-methylphenyl)-1-benzothiophen-5-yl]methoxy]-dimethylsilane
CID 140813653
5-[[Tert-butyl(dimethyl)silyl]oxymethyl]-3-(2-methylphenyl)-1-benzothiophene-2-carbonitrile
CID 140813659

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[2-chloro-3-(2-methylphenyl)-1-benzothiophen-5-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[2-chloro-3-(2-methylphenyl)-1-benzothiophen-5-yl]methoxy]-dimethylsilane (CID 140813665) is tert-butyl-[[2-chloro-3-(2-methylphenyl)-1-benzothiophen-5-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[2-chloro-3-(2-methylphenyl)-1-benzothiophen-5-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[2-chloro-3-(2-methylphenyl)-1-benzothiophen-5-yl]methoxy]-dimethylsilane is Cc1ccccc1-c1c(Cl)sc2ccc(CO[Si](C)(C)C(C)(C)C)cc12.
What is the InChIKey of tert-butyl-[[2-chloro-3-(2-methylphenyl)-1-benzothiophen-5-yl]methoxy]-dimethylsilane?
The InChIKey is RGJVRCARZWXZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClOSSi/c1-15-9-7-8-10-17(15)20-18-13-16(11-12-19(18)25-21(20)23)14-24-26(5,6)22(2,3)4/h7-13H,14H2,1-6H3.
What are the key properties of tert-butyl-[[2-chloro-3-(2-methylphenyl)-1-benzothiophen-5-yl]methoxy]-dimethylsilane?
tert-butyl-[[2-chloro-3-(2-methylphenyl)-1-benzothiophen-5-yl]methoxy]-dimethylsilane has a molecular weight of 403.06 g/mol, XLogP of 8.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[2-chloro-3-(2-methylphenyl)-1-benzothiophen-5-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 140813665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).