1-(trideuteriomethylsulfinyl)ethane

C3H8OS — CID 91520160

IUPAC1-(trideuteriomethylsulfinyl)ethane
SMILES[2H]C([2H])([2H])S(=O)CC
InChIInChI=1S/C3H8OS/c1-3-5(2)4/h3H2,1-2H3/i2D3
InChIKeyVTRRCXRVEQTTOE-BMSJAHLVSA-N
MW95.18 g/mol
LogP0.38
Rot. Bonds2

About 1-(trideuteriomethylsulfinyl)ethane

1-(trideuteriomethylsulfinyl)ethane (PubChem CID 91520160) has the molecular formula C3H8OS and a molecular weight of 95.18 g/mol. Its IUPAC name is 1-(trideuteriomethylsulfinyl)ethane.

Molecular Properties

Compound Name1-(trideuteriomethylsulfinyl)ethane
PubChem CID91520160
Molecular FormulaC3H8OS
Molecular Weight95.18 g/mol
Exact Mass95.05
IUPAC Name1-(trideuteriomethylsulfinyl)ethane
SMILES[2H]C([2H])([2H])S(=O)CC
InChIInChI=1S/C3H8OS/c1-3-5(2)4/h3H2,1-2H3/i2D3
InChIKeyVTRRCXRVEQTTOE-BMSJAHLVSA-N
XLogP0.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.18
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Diethyl sulfoxide
CID 6263
Ethyl methyl sulfone
CID 79059
Isopropyl sulfoxide
CID 16645
Ethane, (methylsulfinyl)-
CID 121148
Methyl propyl sulfoxide
CID 123336
Ethyl(imino)methyl-lambda6-sulfanone
CID 13600391
Ethyl (ethylthio)methyl sulphoxide
CID 3015888
Butane, 1-(methylsulfinyl)-
CID 533669
Sulfoxide, isopropyl methyl
CID 139683
Ethyl(fluoromethyl)sulfoxide
CID 57458873
1-Fluoro-1-methylsulfinylethane
CID 57681771
1,2-Bis(methylsulfinyl)ethane
CID 6333864

Frequently Asked Questions

What is the IUPAC name of 1-(trideuteriomethylsulfinyl)ethane?
The IUPAC name of 1-(trideuteriomethylsulfinyl)ethane (CID 91520160) is 1-(trideuteriomethylsulfinyl)ethane.
What is the SMILES notation for 1-(trideuteriomethylsulfinyl)ethane?
The canonical SMILES for 1-(trideuteriomethylsulfinyl)ethane is [2H]C([2H])([2H])S(=O)CC.
What is the InChIKey of 1-(trideuteriomethylsulfinyl)ethane?
The InChIKey is VTRRCXRVEQTTOE-BMSJAHLVSA-N. The full InChI is InChI=1S/C3H8OS/c1-3-5(2)4/h3H2,1-2H3/i2D3.
What are the key properties of 1-(trideuteriomethylsulfinyl)ethane?
1-(trideuteriomethylsulfinyl)ethane has a molecular weight of 95.18 g/mol, XLogP of 0.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trideuteriomethylsulfinyl)ethane is sourced from PubChem (CID 91520160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).