2-(2-imino-3-methylimidazolidin-1-yl)ethyl thiohypofluorite

C6H12FN3S — CID 138502698

IUPAC2-(2-imino-3-methylimidazolidin-1-yl)ethyl thiohypofluorite
SMILES[H]/N=C1\N(C)CCN1CCSF
InChIInChI=1S/C6H12FN3S/c1-9-2-3-10(6(9)8)4-5-11-7/h8H,2-5H2,1H3/b8-6+
InChIKeyVPDADZBCDUIGQH-SOFGYWHQSA-N
MW177.25 g/mol
LogP0.79
Rot. Bonds3

About 2-(2-imino-3-methylimidazolidin-1-yl)ethyl thiohypofluorite

2-(2-imino-3-methylimidazolidin-1-yl)ethyl thiohypofluorite (PubChem CID 138502698) has the molecular formula C6H12FN3S and a molecular weight of 177.25 g/mol. Its IUPAC name is 2-(2-imino-3-methylimidazolidin-1-yl)ethyl thiohypofluorite.

Molecular Properties

Compound Name2-(2-imino-3-methylimidazolidin-1-yl)ethyl thiohypofluorite
PubChem CID138502698
Molecular FormulaC6H12FN3S
Molecular Weight177.25 g/mol
Exact Mass177.07
IUPAC Name2-(2-imino-3-methylimidazolidin-1-yl)ethyl thiohypofluorite
SMILES[H]/N=C1\N(C)CCN1CCSF
InChIInChI=1S/C6H12FN3S/c1-9-2-3-10(6(9)8)4-5-11-7/h8H,2-5H2,1H3/b8-6+
InChIKeyVPDADZBCDUIGQH-SOFGYWHQSA-N
XLogP0.79
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-imino-3-methylimidazolidin-1-yl)propanoic acid
CID 123575070
1-(2-methylbutyl)-3-propylimidazolidin-2-imine
CID 144911681
N-[2-(3-ethyl-2-iminoimidazolidin-1-yl)ethyl]-N,1-dimethyl-5,6-dihydro-4H-pyrimidin-2-amine
CID 129059249
1-(2-methylsulfanylethyl)pyrrolidin-2-imine
CID 63966554
1-cyclohexyl-3-dodecylimidazolidin-2-imine;hydrobromide
CID 158363881
2-imino-3-methyl-1-propylimidazolidin-4-one
CID 45088423
2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl thiohypofluorite
CID 138502696
1,3-dimethylpyrrolidin-2-imine
CID 154249438
1-methyl-3-(2-phenylsulfanylethyl)imidazolidin-2-one
CID 79349024
1-(2-hydroxybutyl)-4-methylpiperazine-2,3-dione
CID 62928789
3-(2-ethylsulfanylethyl)-1,3-oxazolidin-2-one
CID 130297937
1-ethyl-4-methyl-2,3-dihydropyrido[2,3-b]pyrazine
CID 127763309

Frequently Asked Questions

What is the IUPAC name of 2-(2-imino-3-methylimidazolidin-1-yl)ethyl thiohypofluorite?
The IUPAC name of 2-(2-imino-3-methylimidazolidin-1-yl)ethyl thiohypofluorite (CID 138502698) is 2-(2-imino-3-methylimidazolidin-1-yl)ethyl thiohypofluorite.
What is the SMILES notation for 2-(2-imino-3-methylimidazolidin-1-yl)ethyl thiohypofluorite?
The canonical SMILES for 2-(2-imino-3-methylimidazolidin-1-yl)ethyl thiohypofluorite is [H]/N=C1\N(C)CCN1CCSF.
What is the InChIKey of 2-(2-imino-3-methylimidazolidin-1-yl)ethyl thiohypofluorite?
The InChIKey is VPDADZBCDUIGQH-SOFGYWHQSA-N. The full InChI is InChI=1S/C6H12FN3S/c1-9-2-3-10(6(9)8)4-5-11-7/h8H,2-5H2,1H3/b8-6+.
What are the key properties of 2-(2-imino-3-methylimidazolidin-1-yl)ethyl thiohypofluorite?
2-(2-imino-3-methylimidazolidin-1-yl)ethyl thiohypofluorite has a molecular weight of 177.25 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-imino-3-methylimidazolidin-1-yl)ethyl thiohypofluorite is sourced from PubChem (CID 138502698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).