S-silyl but-3-enethioate

C4H8OSSi — CID 173002868

IUPACS-silyl but-3-enethioate
SMILESC=CCC(=O)S[SiH3]
InChIInChI=1S/C4H8OSSi/c1-2-3-4(5)6-7/h2H,1,3H2,7H3
InChIKeyLWVGESPMQMEXMK-UHFFFAOYSA-N
MW132.26 g/mol
LogP0.10
Rot. Bonds2

About S-silyl but-3-enethioate

S-silyl but-3-enethioate (PubChem CID 173002868) has the molecular formula C4H8OSSi and a molecular weight of 132.26 g/mol. Its IUPAC name is S-silyl but-3-enethioate.

Molecular Properties

Compound NameS-silyl but-3-enethioate
PubChem CID173002868
Molecular FormulaC4H8OSSi
Molecular Weight132.26 g/mol
Exact Mass132.01
IUPAC NameS-silyl but-3-enethioate
SMILESC=CCC(=O)S[SiH3]
InChIInChI=1S/C4H8OSSi/c1-2-3-4(5)6-7/h2H,1,3H2,7H3
InChIKeyLWVGESPMQMEXMK-UHFFFAOYSA-N
XLogP0.10
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.26
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of S-silyl but-3-enethioate?
The IUPAC name of S-silyl but-3-enethioate (CID 173002868) is S-silyl but-3-enethioate.
What is the SMILES notation for S-silyl but-3-enethioate?
The canonical SMILES for S-silyl but-3-enethioate is C=CCC(=O)S[SiH3].
What is the InChIKey of S-silyl but-3-enethioate?
The InChIKey is LWVGESPMQMEXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8OSSi/c1-2-3-4(5)6-7/h2H,1,3H2,7H3.
What are the key properties of S-silyl but-3-enethioate?
S-silyl but-3-enethioate has a molecular weight of 132.26 g/mol, XLogP of 0.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for S-silyl but-3-enethioate is sourced from PubChem (CID 173002868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).