acetic acid;2-methoxyethanethiol

C5H12O3S — CID 162333628

IUPACacetic acid;2-methoxyethanethiol
SMILESCC(=O)O.COCCS
InChIInChI=1S/C3H8OS.C2H4O2/c1-4-2-3-5;1-2(3)4/h5H,2-3H2,1H3;1H3,(H,3,4)
InChIKeyUIFSQLAVGSTICL-UHFFFAOYSA-N
MW152.22 g/mol
LogP0.65
Rot. Bonds2

About acetic acid;2-methoxyethanethiol

acetic acid;2-methoxyethanethiol (PubChem CID 162333628) has the molecular formula C5H12O3S and a molecular weight of 152.22 g/mol. Its IUPAC name is acetic acid;2-methoxyethanethiol.

Molecular Properties

Compound Nameacetic acid;2-methoxyethanethiol
PubChem CID162333628
Molecular FormulaC5H12O3S
Molecular Weight152.22 g/mol
Exact Mass152.05
IUPAC Nameacetic acid;2-methoxyethanethiol
SMILESCC(=O)O.COCCS
InChIInChI=1S/C3H8OS.C2H4O2/c1-4-2-3-5;1-2(3)4/h5H,2-3H2,1H3;1H3,(H,3,4)
InChIKeyUIFSQLAVGSTICL-UHFFFAOYSA-N
XLogP0.65
TPSA46.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.22
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;2-(2-sulfanylethoxy)ethanethiol
CID 162307882
acetic acid;3-methoxypropan-1-ol
CID 71363248
acetic acid;2-methoxyethyl hypochlorite
CID 174503241
acetic acid;2-methoxy-N,N-dimethylethanamine
CID 173078438
2-(2-methoxyethoxy)ethanethiol;3-[2-(2-sulfanylethoxy)ethoxy]propanoic acid
CID 160861388
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
acetic acid;dimethylphosphoryloxymethane
CID 174989212
acetic acid;ruthenium
CID 175502908
acetic acid;1-(2-methoxyethoxy)prop-1-ene
CID 118619515
CID 162323307
CID 162323307
1-(2-methoxyethoxy)-4-sulfanylbutan-2-one
CID 159103508
disodium;1,2-dimethoxyethane;carbonate
CID 86669059

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-methoxyethanethiol?
The IUPAC name of acetic acid;2-methoxyethanethiol (CID 162333628) is acetic acid;2-methoxyethanethiol.
What is the SMILES notation for acetic acid;2-methoxyethanethiol?
The canonical SMILES for acetic acid;2-methoxyethanethiol is CC(=O)O.COCCS.
What is the InChIKey of acetic acid;2-methoxyethanethiol?
The InChIKey is UIFSQLAVGSTICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8OS.C2H4O2/c1-4-2-3-5;1-2(3)4/h5H,2-3H2,1H3;1H3,(H,3,4).
What are the key properties of acetic acid;2-methoxyethanethiol?
acetic acid;2-methoxyethanethiol has a molecular weight of 152.22 g/mol, XLogP of 0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-methoxyethanethiol is sourced from PubChem (CID 162333628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).