methoxymethane;N-methylacetamide;methyl acetate;S-methyl ethanethioate;methylsulfanylmethane

C13H31NO5S2 — CID 159152023

IUPACmethoxymethane;N-methylacetamide;methyl acetate;S-methyl ethanethioate;methylsulfanylmethane
SMILESCNC(C)=O.COC.COC(C)=O.CSC.CSC(C)=O
InChIInChI=1S/C3H7NO.C3H6O2.C3H6OS.C2H6O.C2H6S/c1-3(5)4-2;2*1-3(4)5-2;2*1-3-2/h1-2H3,(H,4,5);2*1-2H3;2*1-2H3
InChIKeyKJKNDVKCFLNBTD-UHFFFAOYSA-N
MW345.53 g/mol
LogP2.07
Rot. Bonds

About methoxymethane;N-methylacetamide;methyl acetate;S-methyl ethanethioate;methylsulfanylmethane

methoxymethane;N-methylacetamide;methyl acetate;S-methyl ethanethioate;methylsulfanylmethane (PubChem CID 159152023) has the molecular formula C13H31NO5S2 and a molecular weight of 345.53 g/mol. Its IUPAC name is methoxymethane;N-methylacetamide;methyl acetate;S-methyl ethanethioate;methylsulfanylmethane.

Molecular Properties

Compound Namemethoxymethane;N-methylacetamide;methyl acetate;S-methyl ethanethioate;methylsulfanylmethane
PubChem CID159152023
Molecular FormulaC13H31NO5S2
Molecular Weight345.53 g/mol
Exact Mass345.16
IUPAC Namemethoxymethane;N-methylacetamide;methyl acetate;S-methyl ethanethioate;methylsulfanylmethane
SMILESCNC(C)=O.COC.COC(C)=O.CSC.CSC(C)=O
InChIInChI=1S/C3H7NO.C3H6O2.C3H6OS.C2H6O.C2H6S/c1-3(5)4-2;2*1-3(4)5-2;2*1-3-2/h1-2H3,(H,4,5);2*1-2H3;2*1-2H3
InChIKeyKJKNDVKCFLNBTD-UHFFFAOYSA-N
XLogP2.07
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.53
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methoxymethane;N-methylacetamide;methyl acetate;S-methyl ethanethioate;methylsulfanylmethane?
The IUPAC name of methoxymethane;N-methylacetamide;methyl acetate;S-methyl ethanethioate;methylsulfanylmethane (CID 159152023) is methoxymethane;N-methylacetamide;methyl acetate;S-methyl ethanethioate;methylsulfanylmethane.
What is the SMILES notation for methoxymethane;N-methylacetamide;methyl acetate;S-methyl ethanethioate;methylsulfanylmethane?
The canonical SMILES for methoxymethane;N-methylacetamide;methyl acetate;S-methyl ethanethioate;methylsulfanylmethane is CNC(C)=O.COC.COC(C)=O.CSC.CSC(C)=O.
What is the InChIKey of methoxymethane;N-methylacetamide;methyl acetate;S-methyl ethanethioate;methylsulfanylmethane?
The InChIKey is KJKNDVKCFLNBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO.C3H6O2.C3H6OS.C2H6O.C2H6S/c1-3(5)4-2;2*1-3(4)5-2;2*1-3-2/h1-2H3,(H,4,5);2*1-2H3;2*1-2H3.
What are the key properties of methoxymethane;N-methylacetamide;methyl acetate;S-methyl ethanethioate;methylsulfanylmethane?
methoxymethane;N-methylacetamide;methyl acetate;S-methyl ethanethioate;methylsulfanylmethane has a molecular weight of 345.53 g/mol, XLogP of 2.07, 0 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethane;N-methylacetamide;methyl acetate;S-methyl ethanethioate;methylsulfanylmethane is sourced from PubChem (CID 159152023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).