acetyloxymethyl 2-methylsulfanylacetate;methane

C8H18O4S — CID 157487366

IUPACacetyloxymethyl 2-methylsulfanylacetate;methane
SMILESC.C.CSCC(=O)OCOC(C)=O
InChIInChI=1S/C6H10O4S.2CH4/c1-5(7)9-4-10-6(8)3-11-2;;/h3-4H2,1-2H3;2*1H4
InChIKeyBWWJKLCORBXEOT-UHFFFAOYSA-N
MW210.29 g/mol
LogP1.69
Rot. Bonds4

About acetyloxymethyl 2-methylsulfanylacetate;methane

acetyloxymethyl 2-methylsulfanylacetate;methane (PubChem CID 157487366) has the molecular formula C8H18O4S and a molecular weight of 210.29 g/mol. Its IUPAC name is acetyloxymethyl 2-methylsulfanylacetate;methane.

Molecular Properties

Compound Nameacetyloxymethyl 2-methylsulfanylacetate;methane
PubChem CID157487366
Molecular FormulaC8H18O4S
Molecular Weight210.29 g/mol
Exact Mass210.09
IUPAC Nameacetyloxymethyl 2-methylsulfanylacetate;methane
SMILESC.C.CSCC(=O)OCOC(C)=O
InChIInChI=1S/C6H10O4S.2CH4/c1-5(7)9-4-10-6(8)3-11-2;;/h3-4H2,1-2H3;2*1H4
InChIKeyBWWJKLCORBXEOT-UHFFFAOYSA-N
XLogP1.69
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.29
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(2-methylsulfanylacetyl)oxyethyl 2-methylsulfanylacetate
CID 20673875
acetyloxymethyl acetate;azane
CID 172795061
bis(acetyloxymethyl) propanedioate
CID 59124845
acetic acid;acetyloxymethyl acetate
CID 175421869
2-(2-methylsulfanylacetyl)oxyacetate
CID 168744736
acetyloxymethyl 4-oxopentanoate
CID 88539026
cyanomethyl 2-methylsulfanylacetate
CID 13155092
acetyloxymethyl 4-aminobutanoate
CID 143907258
ethyl acetate;methylsulfanylethane
CID 90948635
acetyloxymethoxymethanedithioic acid
CID 175203705
acetyl acetate;acetyloxymethyl acetate;hydroxymethyl acetate
CID 158119502
chloromethoxycarbonyloxymethyl acetate
CID 54336470

Frequently Asked Questions

What is the IUPAC name of acetyloxymethyl 2-methylsulfanylacetate;methane?
The IUPAC name of acetyloxymethyl 2-methylsulfanylacetate;methane (CID 157487366) is acetyloxymethyl 2-methylsulfanylacetate;methane.
What is the SMILES notation for acetyloxymethyl 2-methylsulfanylacetate;methane?
The canonical SMILES for acetyloxymethyl 2-methylsulfanylacetate;methane is C.C.CSCC(=O)OCOC(C)=O.
What is the InChIKey of acetyloxymethyl 2-methylsulfanylacetate;methane?
The InChIKey is BWWJKLCORBXEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4S.2CH4/c1-5(7)9-4-10-6(8)3-11-2;;/h3-4H2,1-2H3;2*1H4.
What are the key properties of acetyloxymethyl 2-methylsulfanylacetate;methane?
acetyloxymethyl 2-methylsulfanylacetate;methane has a molecular weight of 210.29 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetyloxymethyl 2-methylsulfanylacetate;methane is sourced from PubChem (CID 157487366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).