1-(tritiomethylsulfanyloxy)-2-tritiooxyethane

C3H8O2S — CID 59082723

IUPAC1-(tritiomethylsulfanyloxy)-2-tritiooxyethane
SMILES[3H]CSOCCO[3H]
InChIInChI=1S/C3H8O2S/c1-6-5-3-2-4/h4H,2-3H2,1H3/i1T,4T
InChIKeyTXIHLBBPRIREOG-HNOVJDQZSA-N
MW112.18 g/mol
LogP0.27
Rot. Bonds5

About 1-(tritiomethylsulfanyloxy)-2-tritiooxyethane

1-(tritiomethylsulfanyloxy)-2-tritiooxyethane (PubChem CID 59082723) has the molecular formula C3H8O2S and a molecular weight of 112.18 g/mol. Its IUPAC name is 1-(tritiomethylsulfanyloxy)-2-tritiooxyethane.

Molecular Properties

Compound Name1-(tritiomethylsulfanyloxy)-2-tritiooxyethane
PubChem CID59082723
Molecular FormulaC3H8O2S
Molecular Weight112.18 g/mol
Exact Mass112.04
IUPAC Name1-(tritiomethylsulfanyloxy)-2-tritiooxyethane
SMILES[3H]CSOCCO[3H]
InChIInChI=1S/C3H8O2S/c1-6-5-3-2-4/h4H,2-3H2,1H3/i1T,4T
InChIKeyTXIHLBBPRIREOG-HNOVJDQZSA-N
XLogP0.27
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(tritiomethylsulfanyloxy)-2-tritiooxyethane?
The IUPAC name of 1-(tritiomethylsulfanyloxy)-2-tritiooxyethane (CID 59082723) is 1-(tritiomethylsulfanyloxy)-2-tritiooxyethane.
What is the SMILES notation for 1-(tritiomethylsulfanyloxy)-2-tritiooxyethane?
The canonical SMILES for 1-(tritiomethylsulfanyloxy)-2-tritiooxyethane is [3H]CSOCCO[3H].
What is the InChIKey of 1-(tritiomethylsulfanyloxy)-2-tritiooxyethane?
The InChIKey is TXIHLBBPRIREOG-HNOVJDQZSA-N. The full InChI is InChI=1S/C3H8O2S/c1-6-5-3-2-4/h4H,2-3H2,1H3/i1T,4T.
What are the key properties of 1-(tritiomethylsulfanyloxy)-2-tritiooxyethane?
1-(tritiomethylsulfanyloxy)-2-tritiooxyethane has a molecular weight of 112.18 g/mol, XLogP of 0.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tritiomethylsulfanyloxy)-2-tritiooxyethane is sourced from PubChem (CID 59082723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).