tert-butyl-[2-[(5-chloro-2-pyridinyl)sulfanyl]ethoxy]-dimethylsilane

C13H22ClNOSSi — CID 22964739

IUPACtert-butyl-[2-[(5-chloro-2-pyridinyl)sulfanyl]ethoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCSc1ccc(Cl)cn1
InChIInChI=1S/C13H22ClNOSSi/c1-13(2,3)18(4,5)16-8-9-17-12-7-6-11(14)10-15-12/h6-7,10H,8-9H2,1-5H3
InChIKeyDGOYHDPGNJPNCR-UHFFFAOYSA-N
MW303.93 g/mol
LogP4.85
Rot. Bonds5

About tert-butyl-[2-[(5-chloro-2-pyridinyl)sulfanyl]ethoxy]-dimethylsilane

tert-butyl-[2-[(5-chloro-2-pyridinyl)sulfanyl]ethoxy]-dimethylsilane (PubChem CID 22964739) has the molecular formula C13H22ClNOSSi and a molecular weight of 303.93 g/mol. Its IUPAC name is tert-butyl-[2-[(5-chloro-2-pyridinyl)sulfanyl]ethoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-[(5-chloro-2-pyridinyl)sulfanyl]ethoxy]-dimethylsilane
PubChem CID22964739
Molecular FormulaC13H22ClNOSSi
Molecular Weight303.93 g/mol
Exact Mass303.09
IUPAC Nametert-butyl-[2-[(5-chloro-2-pyridinyl)sulfanyl]ethoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCSc1ccc(Cl)cn1
InChIInChI=1S/C13H22ClNOSSi/c1-13(2,3)18(4,5)16-8-9-17-12-7-6-11(14)10-15-12/h6-7,10H,8-9H2,1-5H3
InChIKeyDGOYHDPGNJPNCR-UHFFFAOYSA-N
XLogP4.85
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.93
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-(2-phenoxyethylsulfanyl)pyridine
CID 112815251
tert-butyl-dimethyl-(2-phenylsulfanylethoxy)silane
CID 11346217
5-[(5-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(methylamino)pentan-1-ol
CID 64821990
2-[tert-butyl(dimethyl)silyl]oxy-1-(5-chloro-2-pyridinyl)ethanol
CID 164921040
methyl 3-[(5-chloro-2-pyridinyl)sulfanyl]-2,2-dimethylpropanoate
CID 79629346
3-[(5-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(methylamino)propan-1-ol
CID 64820200
1-[(5-chloro-2-pyridinyl)sulfanyl]-3-methoxypropan-2-amine
CID 107511471
4-[(5-chloro-2-pyridinyl)sulfanyl]-N-ethylbutan-2-amine
CID 64631271
tert-butyl-[3-(2-chlorophenyl)sulfanylpropoxy]-dimethylsilane
CID 141310434
6-[(5-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64821321
4-bromo-2-[2-[tert-butyl(dimethyl)silyl]oxyethylsulfanyl]aniline
CID 67239022
N-[[6-[(4-chlorophenyl)methylsulfanyl]-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 114792367

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-[(5-chloro-2-pyridinyl)sulfanyl]ethoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[2-[(5-chloro-2-pyridinyl)sulfanyl]ethoxy]-dimethylsilane (CID 22964739) is tert-butyl-[2-[(5-chloro-2-pyridinyl)sulfanyl]ethoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-[(5-chloro-2-pyridinyl)sulfanyl]ethoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[2-[(5-chloro-2-pyridinyl)sulfanyl]ethoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCCSc1ccc(Cl)cn1.
What is the InChIKey of tert-butyl-[2-[(5-chloro-2-pyridinyl)sulfanyl]ethoxy]-dimethylsilane?
The InChIKey is DGOYHDPGNJPNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClNOSSi/c1-13(2,3)18(4,5)16-8-9-17-12-7-6-11(14)10-15-12/h6-7,10H,8-9H2,1-5H3.
What are the key properties of tert-butyl-[2-[(5-chloro-2-pyridinyl)sulfanyl]ethoxy]-dimethylsilane?
tert-butyl-[2-[(5-chloro-2-pyridinyl)sulfanyl]ethoxy]-dimethylsilane has a molecular weight of 303.93 g/mol, XLogP of 4.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[(5-chloro-2-pyridinyl)sulfanyl]ethoxy]-dimethylsilane is sourced from PubChem (CID 22964739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).