2-(2-methoxyethoxy)ethanethiol;3-[2-(2-sulfanylethoxy)ethoxy]propanoic acid

C12H26O6S2 — CID 160861388

IUPAC2-(2-methoxyethoxy)ethanethiol;3-[2-(2-sulfanylethoxy)ethoxy]propanoic acid
SMILESCOCCOCCS.O=C(O)CCOCCOCCS
InChIInChI=1S/C7H14O4S.C5H12O2S/c8-7(9)1-2-10-3-4-11-5-6-12;1-6-2-3-7-4-5-8/h12H,1-6H2,(H,8,9);8H,2-5H2,1H3
InChIKeySKNONDGJXMENBV-UHFFFAOYSA-N
MW330.47 g/mol
LogP1.00
Rot. Bonds13

About 2-(2-methoxyethoxy)ethanethiol;3-[2-(2-sulfanylethoxy)ethoxy]propanoic acid

2-(2-methoxyethoxy)ethanethiol;3-[2-(2-sulfanylethoxy)ethoxy]propanoic acid (PubChem CID 160861388) has the molecular formula C12H26O6S2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)ethanethiol;3-[2-(2-sulfanylethoxy)ethoxy]propanoic acid.

Molecular Properties

Compound Name2-(2-methoxyethoxy)ethanethiol;3-[2-(2-sulfanylethoxy)ethoxy]propanoic acid
PubChem CID160861388
Molecular FormulaC12H26O6S2
Molecular Weight330.47 g/mol
Exact Mass330.12
IUPAC Name2-(2-methoxyethoxy)ethanethiol;3-[2-(2-sulfanylethoxy)ethoxy]propanoic acid
SMILESCOCCOCCS.O=C(O)CCOCCOCCS
InChIInChI=1S/C7H14O4S.C5H12O2S/c8-7(9)1-2-10-3-4-11-5-6-12;1-6-2-3-7-4-5-8/h12H,1-6H2,(H,8,9);8H,2-5H2,1H3
InChIKeySKNONDGJXMENBV-UHFFFAOYSA-N
XLogP1.00
TPSA74.22 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[2-[2-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 121233560
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 71310695
3-(2-sulfanylethoxy)propanoic acid
CID 19987106
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 91757835
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]ethanethiol
CID 86092592
3-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]propanoic acid
CID 13225972
2-sulfanylacetic acid;2-(2-sulfanylethoxy)ethanethiol
CID 174804995
acetic acid;2-(2-sulfanylethoxy)ethanethiol
CID 162307882
3-methoxypropanoic acid;yttrium
CID 87432975
3-[2-[2-[2-[2-[2-[2-[2-[2-(3-methoxy-3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 172894169
3-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 155128339
acetic acid;2-methoxyethanethiol
CID 162333628

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)ethanethiol;3-[2-(2-sulfanylethoxy)ethoxy]propanoic acid?
The IUPAC name of 2-(2-methoxyethoxy)ethanethiol;3-[2-(2-sulfanylethoxy)ethoxy]propanoic acid (CID 160861388) is 2-(2-methoxyethoxy)ethanethiol;3-[2-(2-sulfanylethoxy)ethoxy]propanoic acid.
What is the SMILES notation for 2-(2-methoxyethoxy)ethanethiol;3-[2-(2-sulfanylethoxy)ethoxy]propanoic acid?
The canonical SMILES for 2-(2-methoxyethoxy)ethanethiol;3-[2-(2-sulfanylethoxy)ethoxy]propanoic acid is COCCOCCS.O=C(O)CCOCCOCCS.
What is the InChIKey of 2-(2-methoxyethoxy)ethanethiol;3-[2-(2-sulfanylethoxy)ethoxy]propanoic acid?
The InChIKey is SKNONDGJXMENBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O4S.C5H12O2S/c8-7(9)1-2-10-3-4-11-5-6-12;1-6-2-3-7-4-5-8/h12H,1-6H2,(H,8,9);8H,2-5H2,1H3.
What are the key properties of 2-(2-methoxyethoxy)ethanethiol;3-[2-(2-sulfanylethoxy)ethoxy]propanoic acid?
2-(2-methoxyethoxy)ethanethiol;3-[2-(2-sulfanylethoxy)ethoxy]propanoic acid has a molecular weight of 330.47 g/mol, XLogP of 1.00, 13 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)ethanethiol;3-[2-(2-sulfanylethoxy)ethoxy]propanoic acid is sourced from PubChem (CID 160861388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).