sulfanyloxy(tritio)methane

CH4OS — CID 159512377

IUPACsulfanyloxy(tritio)methane
SMILES[3H]COS
InChIInChI=1S/CH4OS/c1-2-3/h3H,1H3/i1T
InChIKeyFQIYBGJSPWHUQN-CNRUNOGKSA-N
MW66.12 g/mol
LogP0.48
Rot. Bonds1

About sulfanyloxy(tritio)methane

sulfanyloxy(tritio)methane (PubChem CID 159512377) has the molecular formula CH4OS and a molecular weight of 66.12 g/mol. Its IUPAC name is sulfanyloxy(tritio)methane.

Molecular Properties

Compound Namesulfanyloxy(tritio)methane
PubChem CID159512377
Molecular FormulaCH4OS
Molecular Weight66.12 g/mol
Exact Mass66.01
IUPAC Namesulfanyloxy(tritio)methane
SMILES[3H]COS
InChIInChI=1S/CH4OS/c1-2-3/h3H,1H3/i1T
InChIKeyFQIYBGJSPWHUQN-CNRUNOGKSA-N
XLogP0.48
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50066.12
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sulfanyloxy(tritio)methane?
The IUPAC name of sulfanyloxy(tritio)methane (CID 159512377) is sulfanyloxy(tritio)methane.
What is the SMILES notation for sulfanyloxy(tritio)methane?
The canonical SMILES for sulfanyloxy(tritio)methane is [3H]COS.
What is the InChIKey of sulfanyloxy(tritio)methane?
The InChIKey is FQIYBGJSPWHUQN-CNRUNOGKSA-N. The full InChI is InChI=1S/CH4OS/c1-2-3/h3H,1H3/i1T.
What are the key properties of sulfanyloxy(tritio)methane?
sulfanyloxy(tritio)methane has a molecular weight of 66.12 g/mol, XLogP of 0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sulfanyloxy(tritio)methane is sourced from PubChem (CID 159512377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).