1-(chloromethoxy)-2-(tritiomethylsulfanyl)ethane

C4H9ClOS — CID 59100871

IUPAC1-(chloromethoxy)-2-(tritiomethylsulfanyl)ethane
SMILES[3H]CSCCOCCl
InChIInChI=1S/C4H9ClOS/c1-7-3-2-6-4-5/h2-4H2,1H3/i1T
InChIKeyQOROLHYLCDMSAK-CNRUNOGKSA-N
MW142.64 g/mol
LogP1.56
Rot. Bonds5

About 1-(chloromethoxy)-2-(tritiomethylsulfanyl)ethane

1-(chloromethoxy)-2-(tritiomethylsulfanyl)ethane (PubChem CID 59100871) has the molecular formula C4H9ClOS and a molecular weight of 142.64 g/mol. Its IUPAC name is 1-(chloromethoxy)-2-(tritiomethylsulfanyl)ethane.

Molecular Properties

Compound Name1-(chloromethoxy)-2-(tritiomethylsulfanyl)ethane
PubChem CID59100871
Molecular FormulaC4H9ClOS
Molecular Weight142.64 g/mol
Exact Mass142.01
IUPAC Name1-(chloromethoxy)-2-(tritiomethylsulfanyl)ethane
SMILES[3H]CSCCOCCl
InChIInChI=1S/C4H9ClOS/c1-7-3-2-6-4-5/h2-4H2,1H3/i1T
InChIKeyQOROLHYLCDMSAK-CNRUNOGKSA-N
XLogP1.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.64
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(chloromethoxy)-2-(tritiomethylsulfanyl)ethane?
The IUPAC name of 1-(chloromethoxy)-2-(tritiomethylsulfanyl)ethane (CID 59100871) is 1-(chloromethoxy)-2-(tritiomethylsulfanyl)ethane.
What is the SMILES notation for 1-(chloromethoxy)-2-(tritiomethylsulfanyl)ethane?
The canonical SMILES for 1-(chloromethoxy)-2-(tritiomethylsulfanyl)ethane is [3H]CSCCOCCl.
What is the InChIKey of 1-(chloromethoxy)-2-(tritiomethylsulfanyl)ethane?
The InChIKey is QOROLHYLCDMSAK-CNRUNOGKSA-N. The full InChI is InChI=1S/C4H9ClOS/c1-7-3-2-6-4-5/h2-4H2,1H3/i1T.
What are the key properties of 1-(chloromethoxy)-2-(tritiomethylsulfanyl)ethane?
1-(chloromethoxy)-2-(tritiomethylsulfanyl)ethane has a molecular weight of 142.64 g/mol, XLogP of 1.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethoxy)-2-(tritiomethylsulfanyl)ethane is sourced from PubChem (CID 59100871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).