[2-(methylamino)-2-oxoethyl] thiohypofluorite

C3H6FNOS — CID 138502694

IUPAC[2-(methylamino)-2-oxoethyl] thiohypofluorite
SMILESCNC(=O)CSF
InChIInChI=1S/C3H6FNOS/c1-5-3(6)2-7-4/h2H2,1H3,(H,5,6)
InChIKeyDNVANGKJAMFHQL-UHFFFAOYSA-N
MW123.15 g/mol
LogP0.35
Rot. Bonds2

About [2-(methylamino)-2-oxoethyl] thiohypofluorite

[2-(methylamino)-2-oxoethyl] thiohypofluorite (PubChem CID 138502694) has the molecular formula C3H6FNOS and a molecular weight of 123.15 g/mol. Its IUPAC name is [2-(methylamino)-2-oxoethyl] thiohypofluorite.

Molecular Properties

Compound Name[2-(methylamino)-2-oxoethyl] thiohypofluorite
PubChem CID138502694
Molecular FormulaC3H6FNOS
Molecular Weight123.15 g/mol
Exact Mass123.02
IUPAC Name[2-(methylamino)-2-oxoethyl] thiohypofluorite
SMILESCNC(=O)CSF
InChIInChI=1S/C3H6FNOS/c1-5-3(6)2-7-4/h2H2,1H3,(H,5,6)
InChIKeyDNVANGKJAMFHQL-UHFFFAOYSA-N
XLogP0.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-2-oxoethyl] thiohypofluorite?
The IUPAC name of [2-(methylamino)-2-oxoethyl] thiohypofluorite (CID 138502694) is [2-(methylamino)-2-oxoethyl] thiohypofluorite.
What is the SMILES notation for [2-(methylamino)-2-oxoethyl] thiohypofluorite?
The canonical SMILES for [2-(methylamino)-2-oxoethyl] thiohypofluorite is CNC(=O)CSF.
What is the InChIKey of [2-(methylamino)-2-oxoethyl] thiohypofluorite?
The InChIKey is DNVANGKJAMFHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6FNOS/c1-5-3(6)2-7-4/h2H2,1H3,(H,5,6).
What are the key properties of [2-(methylamino)-2-oxoethyl] thiohypofluorite?
[2-(methylamino)-2-oxoethyl] thiohypofluorite has a molecular weight of 123.15 g/mol, XLogP of 0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-2-oxoethyl] thiohypofluorite is sourced from PubChem (CID 138502694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).