ethoxyethane;N-methylmethanimine;N-methylthiohydroxylamine

C7H20N2OS — CID 142051395

IUPACethoxyethane;N-methylmethanimine;N-methylthiohydroxylamine
SMILESC=NC.CCOCC.CNS
InChIInChI=1S/C4H10O.C2H5N.CH5NS/c1-3-5-4-2;1-3-2;1-2-3/h3-4H2,1-2H3;1H2,2H3;2-3H,1H3
InChIKeyJWRUNESGFPEZFQ-UHFFFAOYSA-N
MW180.32 g/mol
LogP1.41
Rot. Bonds2

About ethoxyethane;N-methylmethanimine;N-methylthiohydroxylamine

ethoxyethane;N-methylmethanimine;N-methylthiohydroxylamine (PubChem CID 142051395) has the molecular formula C7H20N2OS and a molecular weight of 180.32 g/mol. Its IUPAC name is ethoxyethane;N-methylmethanimine;N-methylthiohydroxylamine.

Molecular Properties

Compound Nameethoxyethane;N-methylmethanimine;N-methylthiohydroxylamine
PubChem CID142051395
Molecular FormulaC7H20N2OS
Molecular Weight180.32 g/mol
Exact Mass180.13
IUPAC Nameethoxyethane;N-methylmethanimine;N-methylthiohydroxylamine
SMILESC=NC.CCOCC.CNS
InChIInChI=1S/C4H10O.C2H5N.CH5NS/c1-3-5-4-2;1-3-2;1-2-3/h3-4H2,1-2H3;1H2,2H3;2-3H,1H3
InChIKeyJWRUNESGFPEZFQ-UHFFFAOYSA-N
XLogP1.41
TPSA33.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.32
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

ethoxyethane
CID 18694919
ethoxyethane
CID 19002445
ethoxyethane;formaldehyde
CID 174286087
ethoxyethane;hydrate
CID 22594236
ethoxyethane;sulfane
CID 90240371
ethoxyethane;sulfane
CID 87243372
disodium;ethoxyethane
CID 23107014
ethoxyethane;pentahydrate
CID 141041283
CID 135083812
CID 135083812
ethoxyethane;molybdenum;tetrahydrochloride
CID 174873486
aluminum;ethoxyethane;triiodide
CID 173390625
ethoxyethane;molecular nitrogen
CID 86758381

Frequently Asked Questions

What is the IUPAC name of ethoxyethane;N-methylmethanimine;N-methylthiohydroxylamine?
The IUPAC name of ethoxyethane;N-methylmethanimine;N-methylthiohydroxylamine (CID 142051395) is ethoxyethane;N-methylmethanimine;N-methylthiohydroxylamine.
What is the SMILES notation for ethoxyethane;N-methylmethanimine;N-methylthiohydroxylamine?
The canonical SMILES for ethoxyethane;N-methylmethanimine;N-methylthiohydroxylamine is C=NC.CCOCC.CNS.
What is the InChIKey of ethoxyethane;N-methylmethanimine;N-methylthiohydroxylamine?
The InChIKey is JWRUNESGFPEZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.C2H5N.CH5NS/c1-3-5-4-2;1-3-2;1-2-3/h3-4H2,1-2H3;1H2,2H3;2-3H,1H3.
What are the key properties of ethoxyethane;N-methylmethanimine;N-methylthiohydroxylamine?
ethoxyethane;N-methylmethanimine;N-methylthiohydroxylamine has a molecular weight of 180.32 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;N-methylmethanimine;N-methylthiohydroxylamine is sourced from PubChem (CID 142051395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).