S-(2-silylpropan-2-yl) ethanethioate

C5H12OSSi — CID 123808530

IUPACS-(2-silylpropan-2-yl) ethanethioate
SMILESCC(=O)SC(C)(C)[SiH3]
InChIInChI=1S/C5H12OSSi/c1-4(6)7-5(2,3)8/h1-3,8H3
InChIKeyDPUYOMUNESRTHF-UHFFFAOYSA-N
MW148.30 g/mol
LogP0.37
Rot. Bonds1

About S-(2-silylpropan-2-yl) ethanethioate

S-(2-silylpropan-2-yl) ethanethioate (PubChem CID 123808530) has the molecular formula C5H12OSSi and a molecular weight of 148.30 g/mol. Its IUPAC name is S-(2-silylpropan-2-yl) ethanethioate.

Molecular Properties

Compound NameS-(2-silylpropan-2-yl) ethanethioate
PubChem CID123808530
Molecular FormulaC5H12OSSi
Molecular Weight148.30 g/mol
Exact Mass148.04
IUPAC NameS-(2-silylpropan-2-yl) ethanethioate
SMILESCC(=O)SC(C)(C)[SiH3]
InChIInChI=1S/C5H12OSSi/c1-4(6)7-5(2,3)8/h1-3,8H3
InChIKeyDPUYOMUNESRTHF-UHFFFAOYSA-N
XLogP0.37
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.30
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

S-(trichloromethyl) ethanethioate
CID 54082808
(2-acetylsulfanyl-2-methyl-1-phosphonopropyl)phosphonic acid
CID 54313110
2-[(3-acetylsulfanyl-3-methylbutanoyl)amino]acetic acid
CID 54424453
S-[2-(4-methylcyclohex-3-en-1-yl)propan-2-yl] ethanethioate
CID 142090009
4,4,5,5-tetramethyloctane-2,7-dione
CID 28679
S-[2-[3,5-bis(hydroxymethyl)phenyl]propan-2-yl] ethanethioate
CID 123963467
2-methylpropan-2-ol;propan-2-one;hydrate
CID 86602953
2-acetylsulfanyl-2-methyl-3-phenylpropanoic acid
CID 19764761
4-hydroxy-4-methylpentan-2-one
CID 87257073
CID 58312499
CID 58312499
acetic acid;tert-butyl-λ2-stannane
CID 173132610
3-amino-3-methylbutan-2-one
CID 4913006

Frequently Asked Questions

What is the IUPAC name of S-(2-silylpropan-2-yl) ethanethioate?
The IUPAC name of S-(2-silylpropan-2-yl) ethanethioate (CID 123808530) is S-(2-silylpropan-2-yl) ethanethioate.
What is the SMILES notation for S-(2-silylpropan-2-yl) ethanethioate?
The canonical SMILES for S-(2-silylpropan-2-yl) ethanethioate is CC(=O)SC(C)(C)[SiH3].
What is the InChIKey of S-(2-silylpropan-2-yl) ethanethioate?
The InChIKey is DPUYOMUNESRTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12OSSi/c1-4(6)7-5(2,3)8/h1-3,8H3.
What are the key properties of S-(2-silylpropan-2-yl) ethanethioate?
S-(2-silylpropan-2-yl) ethanethioate has a molecular weight of 148.30 g/mol, XLogP of 0.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for S-(2-silylpropan-2-yl) ethanethioate is sourced from PubChem (CID 123808530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).