O-silyl cyclopropanecarbothioate

C4H8OSSi — CID 123202492

IUPACO-silyl cyclopropanecarbothioate
SMILES[SiH3]OC(=S)C1CC1
InChIInChI=1S/C4H8OSSi/c6-4(5-7)3-1-2-3/h3H,1-2H2,7H3
InChIKeyXTGFSXHWAVMUFS-UHFFFAOYSA-N
MW132.26 g/mol
LogP0.02
Rot. Bonds1

About O-silyl cyclopropanecarbothioate

O-silyl cyclopropanecarbothioate (PubChem CID 123202492) has the molecular formula C4H8OSSi and a molecular weight of 132.26 g/mol. Its IUPAC name is O-silyl cyclopropanecarbothioate.

Molecular Properties

Compound NameO-silyl cyclopropanecarbothioate
PubChem CID123202492
Molecular FormulaC4H8OSSi
Molecular Weight132.26 g/mol
Exact Mass132.01
IUPAC NameO-silyl cyclopropanecarbothioate
SMILES[SiH3]OC(=S)C1CC1
InChIInChI=1S/C4H8OSSi/c6-4(5-7)3-1-2-3/h3H,1-2H2,7H3
InChIKeyXTGFSXHWAVMUFS-UHFFFAOYSA-N
XLogP0.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.26
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of O-silyl cyclopropanecarbothioate?
The IUPAC name of O-silyl cyclopropanecarbothioate (CID 123202492) is O-silyl cyclopropanecarbothioate.
What is the SMILES notation for O-silyl cyclopropanecarbothioate?
The canonical SMILES for O-silyl cyclopropanecarbothioate is [SiH3]OC(=S)C1CC1.
What is the InChIKey of O-silyl cyclopropanecarbothioate?
The InChIKey is XTGFSXHWAVMUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8OSSi/c6-4(5-7)3-1-2-3/h3H,1-2H2,7H3.
What are the key properties of O-silyl cyclopropanecarbothioate?
O-silyl cyclopropanecarbothioate has a molecular weight of 132.26 g/mol, XLogP of 0.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-silyl cyclopropanecarbothioate is sourced from PubChem (CID 123202492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).