1-sulfanylsilylbut-3-en-1-one

C4H8OSSi — CID 173002867

IUPAC1-sulfanylsilylbut-3-en-1-one
SMILESC=CCC(=O)[SiH2]S
InChIInChI=1S/C4H8OSSi/c1-2-3-4(5)7-6/h2,6H,1,3,7H2
InChIKeyAODJKSLJWGKMMM-UHFFFAOYSA-N
MW132.26 g/mol
LogP0.10
Rot. Bonds3

About 1-sulfanylsilylbut-3-en-1-one

1-sulfanylsilylbut-3-en-1-one (PubChem CID 173002867) has the molecular formula C4H8OSSi and a molecular weight of 132.26 g/mol. Its IUPAC name is 1-sulfanylsilylbut-3-en-1-one.

Molecular Properties

Compound Name1-sulfanylsilylbut-3-en-1-one
PubChem CID173002867
Molecular FormulaC4H8OSSi
Molecular Weight132.26 g/mol
Exact Mass132.01
IUPAC Name1-sulfanylsilylbut-3-en-1-one
SMILESC=CCC(=O)[SiH2]S
InChIInChI=1S/C4H8OSSi/c1-2-3-4(5)7-6/h2,6H,1,3,7H2
InChIKeyAODJKSLJWGKMMM-UHFFFAOYSA-N
XLogP0.10
TPSA17.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.26
LogP ≤ 50.10
H-Bond Donors ≤ 51
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': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-Silylbut-3-en-1-one
CID 153835783
S-silyl but-3-enethioate
CID 173002868
CID 173350505
CID 173350505
4-Oxo-4-sulfinatosilylbut-1-ene
CID 174858825
4-Oxo-4-sulfinosilylbut-1-ene
CID 174858826

Frequently Asked Questions

What is the IUPAC name of 1-sulfanylsilylbut-3-en-1-one?
The IUPAC name of 1-sulfanylsilylbut-3-en-1-one (CID 173002867) is 1-sulfanylsilylbut-3-en-1-one.
What is the SMILES notation for 1-sulfanylsilylbut-3-en-1-one?
The canonical SMILES for 1-sulfanylsilylbut-3-en-1-one is C=CCC(=O)[SiH2]S.
What is the InChIKey of 1-sulfanylsilylbut-3-en-1-one?
The InChIKey is AODJKSLJWGKMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8OSSi/c1-2-3-4(5)7-6/h2,6H,1,3,7H2.
What are the key properties of 1-sulfanylsilylbut-3-en-1-one?
1-sulfanylsilylbut-3-en-1-one has a molecular weight of 132.26 g/mol, XLogP of 0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-sulfanylsilylbut-3-en-1-one is sourced from PubChem (CID 173002867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).