ethyl 2-hydroxypropanoate;sulfane

C5H12O3S — CID 162209332

IUPACethyl 2-hydroxypropanoate;sulfane
SMILESCCOC(=O)C(C)O.S
InChIInChI=1S/C5H10O3.H2S/c1-3-8-5(7)4(2)6;/h4,6H,3H2,1-2H3;1H2
InChIKeyZSQAUXXWFKKCHZ-UHFFFAOYSA-N
MW152.21 g/mol
LogP0.04
Rot. Bonds2

About ethyl 2-hydroxypropanoate;sulfane

ethyl 2-hydroxypropanoate;sulfane (PubChem CID 162209332) has the molecular formula C5H12O3S and a molecular weight of 152.21 g/mol. Its IUPAC name is ethyl 2-hydroxypropanoate;sulfane.

Molecular Properties

Compound Nameethyl 2-hydroxypropanoate;sulfane
PubChem CID162209332
Molecular FormulaC5H12O3S
Molecular Weight152.21 g/mol
Exact Mass152.05
IUPAC Nameethyl 2-hydroxypropanoate;sulfane
SMILESCCOC(=O)C(C)O.S
InChIInChI=1S/C5H10O3.H2S/c1-3-8-5(7)4(2)6;/h4,6H,3H2,1-2H3;1H2
InChIKeyZSQAUXXWFKKCHZ-UHFFFAOYSA-N
XLogP0.04
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.21
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

butan-2-one;ethyl 2-hydroxypropanoate
CID 19875658
ethyl 2-hydroxypropanoate;ethyl 2-methylbutanoate
CID 175450958
ethyl 2-hydroxypropanoate;2-fluoroacetic acid
CID 174849871
bis(butan-1-olate);bis(ethyl 2-hydroxypropanoate);zirconium(2+)
CID 173454939
[1-(1-ethoxy-1-oxopropan-2-yl)oxy-1-oxopropan-2-yl] 2-hydroxypropanoate
CID 85434603
ethyl 2-hydroxypropanoate;hexanoic acid
CID 175216225
ethyl 2-hydroxypropanoate;(3R)-1,3,4-trihydroxybutan-2-one
CID 89266944
1,3-dimethyl-2H-imidazole;ethyl 2-hydroxypropanoate
CID 174890882
ethoxymethyl 2-hydroxypropanoate
CID 87466299
ethyl 2-hydroxypropanoate;3-methylbutyl acetate
CID 159025256
cyclohexanone;ethyl 2-hydroxypropanoate
CID 22290081
azane;ethyl 2-hydroxypropanoate;phenylmercury
CID 174333864

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxypropanoate;sulfane?
The IUPAC name of ethyl 2-hydroxypropanoate;sulfane (CID 162209332) is ethyl 2-hydroxypropanoate;sulfane.
What is the SMILES notation for ethyl 2-hydroxypropanoate;sulfane?
The canonical SMILES for ethyl 2-hydroxypropanoate;sulfane is CCOC(=O)C(C)O.S.
What is the InChIKey of ethyl 2-hydroxypropanoate;sulfane?
The InChIKey is ZSQAUXXWFKKCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3.H2S/c1-3-8-5(7)4(2)6;/h4,6H,3H2,1-2H3;1H2.
What are the key properties of ethyl 2-hydroxypropanoate;sulfane?
ethyl 2-hydroxypropanoate;sulfane has a molecular weight of 152.21 g/mol, XLogP of 0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxypropanoate;sulfane is sourced from PubChem (CID 162209332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).