acetic acid;formaldehyde;methane;methanethione;methyl hydrogen carbonate;hydrochloride

C11H33ClO6S — CID 158790484

IUPACacetic acid;formaldehyde;methane;methanethione;methyl hydrogen carbonate;hydrochloride
SMILESC.C.C.C.C.C=O.C=S.CC(=O)O.COC(=O)O.Cl
InChIInChI=1S/C2H4O3.C2H4O2.CH2O.CH2S.5CH4.ClH/c1-5-2(3)4;1-2(3)4;2*1-2;;;;;;/h1H3,(H,3,4);1H3,(H,3,4);2*1H2;5*1H4;1H
InChIKeyFYLKVZIGMOSJJE-UHFFFAOYSA-N
MW328.90 g/mol
LogP4.43
Rot. Bonds

About acetic acid;formaldehyde;methane;methanethione;methyl hydrogen carbonate;hydrochloride

acetic acid;formaldehyde;methane;methanethione;methyl hydrogen carbonate;hydrochloride (PubChem CID 158790484) has the molecular formula C11H33ClO6S and a molecular weight of 328.90 g/mol. Its IUPAC name is acetic acid;formaldehyde;methane;methanethione;methyl hydrogen carbonate;hydrochloride.

Molecular Properties

Compound Nameacetic acid;formaldehyde;methane;methanethione;methyl hydrogen carbonate;hydrochloride
PubChem CID158790484
Molecular FormulaC11H33ClO6S
Molecular Weight328.90 g/mol
Exact Mass328.17
IUPAC Nameacetic acid;formaldehyde;methane;methanethione;methyl hydrogen carbonate;hydrochloride
SMILESC.C.C.C.C.C=O.C=S.CC(=O)O.COC(=O)O.Cl
InChIInChI=1S/C2H4O3.C2H4O2.CH2O.CH2S.5CH4.ClH/c1-5-2(3)4;1-2(3)4;2*1-2;;;;;;/h1H3,(H,3,4);1H3,(H,3,4);2*1H2;5*1H4;1H
InChIKeyFYLKVZIGMOSJJE-UHFFFAOYSA-N
XLogP4.43
TPSA100.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.90
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl hydrogen carbonate;propan-2-one
CID 157174234
carbonic acid;methyl hydrogen carbonate
CID 175554276
acetic acid;formaldehyde;hydrate
CID 19350045
acetic acid;ruthenium
CID 175502908
dimethylsilane;methyl hydrogen carbonate
CID 175108197
methane;methyl acetate
CID 158871569
methane;methyl acetate
CID 162094565
calcium;acetic acid;formaldehyde;hydride
CID 173277282
dichloromethane;methyl hydrogen carbonate
CID 160547489
CID 164988510
CID 164988510
acetic acid;tetramethyl silicate
CID 157163624
methyl hydrogen carbonate;sulfuric acid
CID 172863213

Frequently Asked Questions

What is the IUPAC name of acetic acid;formaldehyde;methane;methanethione;methyl hydrogen carbonate;hydrochloride?
The IUPAC name of acetic acid;formaldehyde;methane;methanethione;methyl hydrogen carbonate;hydrochloride (CID 158790484) is acetic acid;formaldehyde;methane;methanethione;methyl hydrogen carbonate;hydrochloride.
What is the SMILES notation for acetic acid;formaldehyde;methane;methanethione;methyl hydrogen carbonate;hydrochloride?
The canonical SMILES for acetic acid;formaldehyde;methane;methanethione;methyl hydrogen carbonate;hydrochloride is C.C.C.C.C.C=O.C=S.CC(=O)O.COC(=O)O.Cl.
What is the InChIKey of acetic acid;formaldehyde;methane;methanethione;methyl hydrogen carbonate;hydrochloride?
The InChIKey is FYLKVZIGMOSJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O3.C2H4O2.CH2O.CH2S.5CH4.ClH/c1-5-2(3)4;1-2(3)4;2*1-2;;;;;;/h1H3,(H,3,4);1H3,(H,3,4);2*1H2;5*1H4;1H.
What are the key properties of acetic acid;formaldehyde;methane;methanethione;methyl hydrogen carbonate;hydrochloride?
acetic acid;formaldehyde;methane;methanethione;methyl hydrogen carbonate;hydrochloride has a molecular weight of 328.90 g/mol, XLogP of 4.43, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;formaldehyde;methane;methanethione;methyl hydrogen carbonate;hydrochloride is sourced from PubChem (CID 158790484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).