O-silyl methanethioate

CH4OSSi — CID 173275337

IUPACO-silyl methanethioate
SMILES[SiH3]OC=S
InChIInChI=1S/CH4OSSi/c3-1-2-4/h1H,4H3
InChIKeyFNSSZLXLBOQHPF-UHFFFAOYSA-N
MW92.19 g/mol
LogP-0.76
Rot. Bonds1

About O-silyl methanethioate

O-silyl methanethioate (PubChem CID 173275337) has the molecular formula CH4OSSi and a molecular weight of 92.19 g/mol. Its IUPAC name is O-silyl methanethioate.

Molecular Properties

Compound NameO-silyl methanethioate
PubChem CID173275337
Molecular FormulaCH4OSSi
Molecular Weight92.19 g/mol
Exact Mass91.98
IUPAC NameO-silyl methanethioate
SMILES[SiH3]OC=S
InChIInChI=1S/CH4OSSi/c3-1-2-4/h1H,4H3
InChIKeyFNSSZLXLBOQHPF-UHFFFAOYSA-N
XLogP-0.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50092.19
LogP ≤ 5-0.76
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 methanethioate?
The IUPAC name of O-silyl methanethioate (CID 173275337) is O-silyl methanethioate.
What is the SMILES notation for O-silyl methanethioate?
The canonical SMILES for O-silyl methanethioate is [SiH3]OC=S.
What is the InChIKey of O-silyl methanethioate?
The InChIKey is FNSSZLXLBOQHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4OSSi/c3-1-2-4/h1H,4H3.
What are the key properties of O-silyl methanethioate?
O-silyl methanethioate has a molecular weight of 92.19 g/mol, XLogP of -0.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-silyl methanethioate is sourced from PubChem (CID 173275337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).