methanimidoyloxymethoxy(dimethyl)sulfanium

C4H10NO2S+ — CID 163472993

IUPACmethanimidoyloxymethoxy(dimethyl)sulfanium
SMILES[H]/N=C/OCO[S+](C)C
InChIInChI=1S/C4H10NO2S/c1-8(2)7-4-6-3-5/h3,5H,4H2,1-2H3/q+1/b5-3+
InChIKeyFSMYPPQJDRTGRA-HWKANZROSA-N
MW136.20 g/mol
LogP0.38
Rot. Bonds4

About methanimidoyloxymethoxy(dimethyl)sulfanium

methanimidoyloxymethoxy(dimethyl)sulfanium (PubChem CID 163472993) has the molecular formula C4H10NO2S+ and a molecular weight of 136.20 g/mol. Its IUPAC name is methanimidoyloxymethoxy(dimethyl)sulfanium.

Molecular Properties

Compound Namemethanimidoyloxymethoxy(dimethyl)sulfanium
PubChem CID163472993
Molecular FormulaC4H10NO2S+
Molecular Weight136.20 g/mol
Exact Mass136.04
IUPAC Namemethanimidoyloxymethoxy(dimethyl)sulfanium
SMILES[H]/N=C/OCO[S+](C)C
InChIInChI=1S/C4H10NO2S/c1-8(2)7-4-6-3-5/h3,5H,4H2,1-2H3/q+1/b5-3+
InChIKeyFSMYPPQJDRTGRA-HWKANZROSA-N
XLogP0.38
TPSA42.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methanimidoyloxymethoxy(dimethyl)sulfanium?
The IUPAC name of methanimidoyloxymethoxy(dimethyl)sulfanium (CID 163472993) is methanimidoyloxymethoxy(dimethyl)sulfanium.
What is the SMILES notation for methanimidoyloxymethoxy(dimethyl)sulfanium?
The canonical SMILES for methanimidoyloxymethoxy(dimethyl)sulfanium is [H]/N=C/OCO[S+](C)C.
What is the InChIKey of methanimidoyloxymethoxy(dimethyl)sulfanium?
The InChIKey is FSMYPPQJDRTGRA-HWKANZROSA-N. The full InChI is InChI=1S/C4H10NO2S/c1-8(2)7-4-6-3-5/h3,5H,4H2,1-2H3/q+1/b5-3+.
What are the key properties of methanimidoyloxymethoxy(dimethyl)sulfanium?
methanimidoyloxymethoxy(dimethyl)sulfanium has a molecular weight of 136.20 g/mol, XLogP of 0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanimidoyloxymethoxy(dimethyl)sulfanium is sourced from PubChem (CID 163472993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).