2-[1,1,2,2-tetradeuterio-2-(2-hydroxyethylsulfanyl)ethyl]sulfanylethanol

C6H14O2S2 — CID 170838287

IUPAC2-[1,1,2,2-tetradeuterio-2-(2-hydroxyethylsulfanyl)ethyl]sulfanylethanol
SMILES[2H]C([2H])(SCCO)C([2H])([2H])SCCO
InChIInChI=1S/C6H14O2S2/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2/i5D2,6D2
InChIKeyPDHFSBXFZGYBIP-NZLXMSDQSA-N
MW186.33 g/mol
LogP0.44
Rot. Bonds7

About 2-[1,1,2,2-tetradeuterio-2-(2-hydroxyethylsulfanyl)ethyl]sulfanylethanol

2-[1,1,2,2-tetradeuterio-2-(2-hydroxyethylsulfanyl)ethyl]sulfanylethanol (PubChem CID 170838287) has the molecular formula C6H14O2S2 and a molecular weight of 186.33 g/mol. Its IUPAC name is 2-[1,1,2,2-tetradeuterio-2-(2-hydroxyethylsulfanyl)ethyl]sulfanylethanol.

Molecular Properties

Compound Name2-[1,1,2,2-tetradeuterio-2-(2-hydroxyethylsulfanyl)ethyl]sulfanylethanol
PubChem CID170838287
Molecular FormulaC6H14O2S2
Molecular Weight186.33 g/mol
Exact Mass186.07
IUPAC Name2-[1,1,2,2-tetradeuterio-2-(2-hydroxyethylsulfanyl)ethyl]sulfanylethanol
SMILES[2H]C([2H])(SCCO)C([2H])([2H])SCCO
InChIInChI=1S/C6H14O2S2/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2/i5D2,6D2
InChIKeyPDHFSBXFZGYBIP-NZLXMSDQSA-N
XLogP0.44
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.33
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1,1,2,2-tetradeuterio-2-(2-hydroxyethylsulfanyl)ethyl]sulfanylethanol?
The IUPAC name of 2-[1,1,2,2-tetradeuterio-2-(2-hydroxyethylsulfanyl)ethyl]sulfanylethanol (CID 170838287) is 2-[1,1,2,2-tetradeuterio-2-(2-hydroxyethylsulfanyl)ethyl]sulfanylethanol.
What is the SMILES notation for 2-[1,1,2,2-tetradeuterio-2-(2-hydroxyethylsulfanyl)ethyl]sulfanylethanol?
The canonical SMILES for 2-[1,1,2,2-tetradeuterio-2-(2-hydroxyethylsulfanyl)ethyl]sulfanylethanol is [2H]C([2H])(SCCO)C([2H])([2H])SCCO.
What is the InChIKey of 2-[1,1,2,2-tetradeuterio-2-(2-hydroxyethylsulfanyl)ethyl]sulfanylethanol?
The InChIKey is PDHFSBXFZGYBIP-NZLXMSDQSA-N. The full InChI is InChI=1S/C6H14O2S2/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2/i5D2,6D2.
What are the key properties of 2-[1,1,2,2-tetradeuterio-2-(2-hydroxyethylsulfanyl)ethyl]sulfanylethanol?
2-[1,1,2,2-tetradeuterio-2-(2-hydroxyethylsulfanyl)ethyl]sulfanylethanol has a molecular weight of 186.33 g/mol, XLogP of 0.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,1,2,2-tetradeuterio-2-(2-hydroxyethylsulfanyl)ethyl]sulfanylethanol is sourced from PubChem (CID 170838287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).