methoxy-methylsulfanyl-tritiomethane

C3H8OS — CID 59294013

IUPACmethoxy-methylsulfanyl-tritiomethane
SMILES[3H]C(OC)SC
InChIInChI=1S/C3H8OS/c1-4-3-5-2/h3H2,1-2H3/i3T
InChIKeyVAGATLLGFQHQAA-WJULDGBESA-N
MW94.17 g/mol
LogP0.95
Rot. Bonds2

About methoxy-methylsulfanyl-tritiomethane

methoxy-methylsulfanyl-tritiomethane (PubChem CID 59294013) has the molecular formula C3H8OS and a molecular weight of 94.17 g/mol. Its IUPAC name is methoxy-methylsulfanyl-tritiomethane.

Molecular Properties

Compound Namemethoxy-methylsulfanyl-tritiomethane
PubChem CID59294013
Molecular FormulaC3H8OS
Molecular Weight94.17 g/mol
Exact Mass94.04
IUPAC Namemethoxy-methylsulfanyl-tritiomethane
SMILES[3H]C(OC)SC
InChIInChI=1S/C3H8OS/c1-4-3-5-2/h3H2,1-2H3/i3T
InChIKeyVAGATLLGFQHQAA-WJULDGBESA-N
XLogP0.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.17
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze methoxy-methylsulfanyl-tritiomethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methoxy-methylsulfanyl-tritiomethane?
The IUPAC name of methoxy-methylsulfanyl-tritiomethane (CID 59294013) is methoxy-methylsulfanyl-tritiomethane.
What is the SMILES notation for methoxy-methylsulfanyl-tritiomethane?
The canonical SMILES for methoxy-methylsulfanyl-tritiomethane is [3H]C(OC)SC.
What is the InChIKey of methoxy-methylsulfanyl-tritiomethane?
The InChIKey is VAGATLLGFQHQAA-WJULDGBESA-N. The full InChI is InChI=1S/C3H8OS/c1-4-3-5-2/h3H2,1-2H3/i3T.
What are the key properties of methoxy-methylsulfanyl-tritiomethane?
methoxy-methylsulfanyl-tritiomethane has a molecular weight of 94.17 g/mol, XLogP of 0.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-methylsulfanyl-tritiomethane is sourced from PubChem (CID 59294013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).