S-(2-hydroxyethyl) 2-(2-methoxyethoxy)ethanethioate

C7H14O4S — CID 176806136

IUPACS-(2-hydroxyethyl) 2-(2-methoxyethoxy)ethanethioate
SMILESCOCCOCC(=O)SCCO
InChIInChI=1S/C7H14O4S/c1-10-3-4-11-6-7(9)12-5-2-8/h8H,2-6H2,1H3
InChIKeyXLNHOHPUFXHFOZ-UHFFFAOYSA-N
MW194.25 g/mol
LogP-0.10
Rot. Bonds7

About S-(2-hydroxyethyl) 2-(2-methoxyethoxy)ethanethioate

S-(2-hydroxyethyl) 2-(2-methoxyethoxy)ethanethioate (PubChem CID 176806136) has the molecular formula C7H14O4S and a molecular weight of 194.25 g/mol. Its IUPAC name is S-(2-hydroxyethyl) 2-(2-methoxyethoxy)ethanethioate.

Molecular Properties

Compound NameS-(2-hydroxyethyl) 2-(2-methoxyethoxy)ethanethioate
PubChem CID176806136
Molecular FormulaC7H14O4S
Molecular Weight194.25 g/mol
Exact Mass194.06
IUPAC NameS-(2-hydroxyethyl) 2-(2-methoxyethoxy)ethanethioate
SMILESCOCCOCC(=O)SCCO
InChIInChI=1S/C7H14O4S/c1-10-3-4-11-6-7(9)12-5-2-8/h8H,2-6H2,1H3
InChIKeyXLNHOHPUFXHFOZ-UHFFFAOYSA-N
XLogP-0.10
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]ethanol
CID 104565079
1,3-bis(2-methoxyethoxy)propan-2-one
CID 14893271
3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-1-ol
CID 91809447
2-hydroxyethyl 2-[2-(2-methoxyethoxy)ethoxy]acetate
CID 89335771
3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-(2-methoxyethoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 155650334
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 15118673
1-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-2-one
CID 175805082
2-[2-(2-methoxyethoxy)acetyl]propanedinitrile
CID 90789263
2-[3-(2-methoxyethoxy)propoxy]acetic acid
CID 87577722
2-[2-(2-methoxyethoxy)ethoxy]-N-methylacetamide
CID 22961397
2-[2-(2-methoxyethoxy)ethoxy]-N-[6-[6-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]hexyldisulfanyl]hexyl]acetamide
CID 15499688
sodium;ethane-1,2-diol;1-methoxy-2-(2-methoxyethoxy)ethane;hydroxide
CID 173220680

Frequently Asked Questions

What is the IUPAC name of S-(2-hydroxyethyl) 2-(2-methoxyethoxy)ethanethioate?
The IUPAC name of S-(2-hydroxyethyl) 2-(2-methoxyethoxy)ethanethioate (CID 176806136) is S-(2-hydroxyethyl) 2-(2-methoxyethoxy)ethanethioate.
What is the SMILES notation for S-(2-hydroxyethyl) 2-(2-methoxyethoxy)ethanethioate?
The canonical SMILES for S-(2-hydroxyethyl) 2-(2-methoxyethoxy)ethanethioate is COCCOCC(=O)SCCO.
What is the InChIKey of S-(2-hydroxyethyl) 2-(2-methoxyethoxy)ethanethioate?
The InChIKey is XLNHOHPUFXHFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O4S/c1-10-3-4-11-6-7(9)12-5-2-8/h8H,2-6H2,1H3.
What are the key properties of S-(2-hydroxyethyl) 2-(2-methoxyethoxy)ethanethioate?
S-(2-hydroxyethyl) 2-(2-methoxyethoxy)ethanethioate has a molecular weight of 194.25 g/mol, XLogP of -0.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for S-(2-hydroxyethyl) 2-(2-methoxyethoxy)ethanethioate is sourced from PubChem (CID 176806136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).