formaldehyde;1-methoxy-2-methylsulfanylethane

C5H12O2S — CID 159879063

IUPACformaldehyde;1-methoxy-2-methylsulfanylethane
SMILESC=O.COCCSC
InChIInChI=1S/C4H10OS.CH2O/c1-5-3-4-6-2;1-2/h3-4H2,1-2H3;1H2
InChIKeyNTHIKLIZGIBMSI-UHFFFAOYSA-N
MW136.22 g/mol
LogP0.81
Rot. Bonds3

About formaldehyde;1-methoxy-2-methylsulfanylethane

formaldehyde;1-methoxy-2-methylsulfanylethane (PubChem CID 159879063) has the molecular formula C5H12O2S and a molecular weight of 136.22 g/mol. Its IUPAC name is formaldehyde;1-methoxy-2-methylsulfanylethane.

Molecular Properties

Compound Nameformaldehyde;1-methoxy-2-methylsulfanylethane
PubChem CID159879063
Molecular FormulaC5H12O2S
Molecular Weight136.22 g/mol
Exact Mass136.06
IUPAC Nameformaldehyde;1-methoxy-2-methylsulfanylethane
SMILESC=O.COCCSC
InChIInChI=1S/C4H10OS.CH2O/c1-5-3-4-6-2;1-2/h3-4H2,1-2H3;1H2
InChIKeyNTHIKLIZGIBMSI-UHFFFAOYSA-N
XLogP0.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.22
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl N-(2-methylsulfanylethoxy)carbamate
CID 130877598
1-methylsulfanyl-2-(methylsulfanylmethoxy)ethane
CID 167220707
2-methylsulfanylethyl sulfite
CID 118684475
ethenyl-tris(2-methylsulfanylethoxy)silane
CID 54468266
2-methylsulfanylethyl hydrogen sulfate
CID 59815369
1-(ethyldisulfanyl)-2-methoxyethane
CID 58608020
2-methoxyethyl(trimethyl)phosphanium;3-methylsulfanylpropanoate
CID 118645178
2-[2-(2-methoxyethoxy)ethoxy]ethyl (2S)-2-amino-4-methylsulfanylbutanoate
CID 87305409
2-methylsulfanylethyl 2-hydroxyacetate
CID 127010328
2-(2-methoxyethylamino)-4-methylsulfanylbutanoic acid
CID 62541222
2-(2-methylsulfanylethoxy)ethanamine
CID 57125874
dimethoxymethane;methane;1-methylsulfanylpropane
CID 159739750

Frequently Asked Questions

What is the IUPAC name of formaldehyde;1-methoxy-2-methylsulfanylethane?
The IUPAC name of formaldehyde;1-methoxy-2-methylsulfanylethane (CID 159879063) is formaldehyde;1-methoxy-2-methylsulfanylethane.
What is the SMILES notation for formaldehyde;1-methoxy-2-methylsulfanylethane?
The canonical SMILES for formaldehyde;1-methoxy-2-methylsulfanylethane is C=O.COCCSC.
What is the InChIKey of formaldehyde;1-methoxy-2-methylsulfanylethane?
The InChIKey is NTHIKLIZGIBMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10OS.CH2O/c1-5-3-4-6-2;1-2/h3-4H2,1-2H3;1H2.
What are the key properties of formaldehyde;1-methoxy-2-methylsulfanylethane?
formaldehyde;1-methoxy-2-methylsulfanylethane has a molecular weight of 136.22 g/mol, XLogP of 0.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;1-methoxy-2-methylsulfanylethane is sourced from PubChem (CID 159879063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).