2-[tert-butyl(dimethyl)silyl]oxyethanethiol

C8H20OSSi — CID 15401058

IUPAC2-[tert-butyl(dimethyl)silyl]oxyethanethiol
SMILESCC(C)(C)[Si](C)(C)OCCS
InChIInChI=1S/C8H20OSSi/c1-8(2,3)11(4,5)9-6-7-10/h10H,6-7H2,1-5H3
InChIKeyPZBCENUAPNTHEM-UHFFFAOYSA-N
MW192.40 g/mol
LogP2.94
Rot. Bonds3

About 2-[tert-butyl(dimethyl)silyl]oxyethanethiol

2-[tert-butyl(dimethyl)silyl]oxyethanethiol (PubChem CID 15401058) has the molecular formula C8H20OSSi and a molecular weight of 192.40 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxyethanethiol.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxyethanethiol
PubChem CID15401058
Molecular FormulaC8H20OSSi
Molecular Weight192.40 g/mol
Exact Mass192.10
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxyethanethiol
SMILESCC(C)(C)[Si](C)(C)OCCS
InChIInChI=1S/C8H20OSSi/c1-8(2,3)11(4,5)9-6-7-10/h10H,6-7H2,1-5H3
InChIKeyPZBCENUAPNTHEM-UHFFFAOYSA-N
XLogP2.94
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.40
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-Propanethiol, 3-(triethoxysilyl)-
CID 84658
2-(Triethoxysilyl)ethanethiol
CID 87521
1-Propanethiol, 3-(methoxydimethylsilyl)-
CID 84673
2-Methyl-1-triethylsilyloxypropane-1-thiol
CID 156020068
Ethanethiol, 2-[(triethylsilyl)oxy]-
CID 11790050
3-Mercaptopropylethoxysilane
CID 18432051
3-Mercaptopropylmethyldiethoxysilane
CID 18542002
Thiopropyltriethoxysilane
CID 21863098
beta-Mercaptopropyltriethoxysilane
CID 22726056
Mercapto propyl triethoxy silane
CID 87087792
2-Methyl-3-(triethoxysilyl)propanethiol
CID 86644
4-(Triethoxysilyl)butane-2-thiol
CID 93746

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxyethanethiol?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxyethanethiol (CID 15401058) is 2-[tert-butyl(dimethyl)silyl]oxyethanethiol.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxyethanethiol?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxyethanethiol is CC(C)(C)[Si](C)(C)OCCS.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxyethanethiol?
The InChIKey is PZBCENUAPNTHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20OSSi/c1-8(2,3)11(4,5)9-6-7-10/h10H,6-7H2,1-5H3.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxyethanethiol?
2-[tert-butyl(dimethyl)silyl]oxyethanethiol has a molecular weight of 192.40 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]oxyethanethiol is sourced from PubChem (CID 15401058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).