acetic acid;methanol;methylsulfinylmethane

C5H14O4S — CID 88618102

IUPACacetic acid;methanol;methylsulfinylmethane
SMILESCC(=O)O.CO.CS(C)=O
InChIInChI=1S/C2H4O2.C2H6OS.CH4O/c1-2(3)4;1-4(2)3;1-2/h1H3,(H,3,4);1-2H3;2H,1H3
InChIKeySONMYNYBPBJFIN-UHFFFAOYSA-N
MW170.23 g/mol
LogP-0.31
Rot. Bonds

About acetic acid;methanol;methylsulfinylmethane

acetic acid;methanol;methylsulfinylmethane (PubChem CID 88618102) has the molecular formula C5H14O4S and a molecular weight of 170.23 g/mol. Its IUPAC name is acetic acid;methanol;methylsulfinylmethane.

Molecular Properties

Compound Nameacetic acid;methanol;methylsulfinylmethane
PubChem CID88618102
Molecular FormulaC5H14O4S
Molecular Weight170.23 g/mol
Exact Mass170.06
IUPAC Nameacetic acid;methanol;methylsulfinylmethane
SMILESCC(=O)O.CO.CS(C)=O
InChIInChI=1S/C2H4O2.C2H6OS.CH4O/c1-2(3)4;1-4(2)3;1-2/h1H3,(H,3,4);1-2H3;2H,1H3
InChIKeySONMYNYBPBJFIN-UHFFFAOYSA-N
XLogP-0.31
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 173443465

Frequently Asked Questions

What is the IUPAC name of acetic acid;methanol;methylsulfinylmethane?
The IUPAC name of acetic acid;methanol;methylsulfinylmethane (CID 88618102) is acetic acid;methanol;methylsulfinylmethane.
What is the SMILES notation for acetic acid;methanol;methylsulfinylmethane?
The canonical SMILES for acetic acid;methanol;methylsulfinylmethane is CC(=O)O.CO.CS(C)=O.
What is the InChIKey of acetic acid;methanol;methylsulfinylmethane?
The InChIKey is SONMYNYBPBJFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O2.C2H6OS.CH4O/c1-2(3)4;1-4(2)3;1-2/h1H3,(H,3,4);1-2H3;2H,1H3.
What are the key properties of acetic acid;methanol;methylsulfinylmethane?
acetic acid;methanol;methylsulfinylmethane has a molecular weight of 170.23 g/mol, XLogP of -0.31, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;methanol;methylsulfinylmethane is sourced from PubChem (CID 88618102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).