2-(2-ethoxyethoxy)ethoxymethanethioic S-acid

C7H14O4S — CID 87914074

IUPAC2-(2-ethoxyethoxy)ethoxymethanethioic S-acid
SMILESCCOCCOCCOC(=O)S
InChIInChI=1S/C7H14O4S/c1-2-9-3-4-10-5-6-11-7(8)12/h2-6H2,1H3,(H,8,12)
InChIKeyBSAQSOXIOIZCOE-UHFFFAOYSA-N
MW194.25 g/mol
LogP1.11
Rot. Bonds7

About 2-(2-ethoxyethoxy)ethoxymethanethioic S-acid

2-(2-ethoxyethoxy)ethoxymethanethioic S-acid (PubChem CID 87914074) has the molecular formula C7H14O4S and a molecular weight of 194.25 g/mol. Its IUPAC name is 2-(2-ethoxyethoxy)ethoxymethanethioic S-acid.

Molecular Properties

Compound Name2-(2-ethoxyethoxy)ethoxymethanethioic S-acid
PubChem CID87914074
Molecular FormulaC7H14O4S
Molecular Weight194.25 g/mol
Exact Mass194.06
IUPAC Name2-(2-ethoxyethoxy)ethoxymethanethioic S-acid
SMILESCCOCCOCCOC(=O)S
InChIInChI=1S/C7H14O4S/c1-2-9-3-4-10-5-6-11-7(8)12/h2-6H2,1H3,(H,8,12)
InChIKeyBSAQSOXIOIZCOE-UHFFFAOYSA-N
XLogP1.11
TPSA44.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-(2-pentoxyethoxy)ethoxymethanethioic S-acid
CID 87914127
bis[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl] carbonate
CID 123756469
bis[2-(2-ethoxyethoxy)ethyl] propanedioate
CID 164851647
2-[2-(2-ethoxyethoxy)ethoxy]ethyl carbonate
CID 131718681
2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl methyl carbonate
CID 87247613
2-(2-ethoxyethoxy)ethyl acetate;2-(2-propoxyethoxy)ethyl acetate
CID 162060487
2-(2-ethoxyethoxy)ethyl (2S)-2-aminopropanoate
CID 167342621
1-ethoxy-2-(2-ethoxyethoxy)ethane;2-methoxyethyl acetate
CID 159055885
2-[2-(2-ethoxyacetyl)oxyethoxy]ethyl 2-ethoxyacetate
CID 121008376
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 89154469
2-(2-ethoxyethoxy)ethyl 3-methylbutanoate
CID 91696182
2-ethoxyethyl 3,4-dimethylpentanoate
CID 142740065

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethoxy)ethoxymethanethioic S-acid?
The IUPAC name of 2-(2-ethoxyethoxy)ethoxymethanethioic S-acid (CID 87914074) is 2-(2-ethoxyethoxy)ethoxymethanethioic S-acid.
What is the SMILES notation for 2-(2-ethoxyethoxy)ethoxymethanethioic S-acid?
The canonical SMILES for 2-(2-ethoxyethoxy)ethoxymethanethioic S-acid is CCOCCOCCOC(=O)S.
What is the InChIKey of 2-(2-ethoxyethoxy)ethoxymethanethioic S-acid?
The InChIKey is BSAQSOXIOIZCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O4S/c1-2-9-3-4-10-5-6-11-7(8)12/h2-6H2,1H3,(H,8,12).
What are the key properties of 2-(2-ethoxyethoxy)ethoxymethanethioic S-acid?
2-(2-ethoxyethoxy)ethoxymethanethioic S-acid has a molecular weight of 194.25 g/mol, XLogP of 1.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethoxy)ethoxymethanethioic S-acid is sourced from PubChem (CID 87914074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).