(2-amino-2-methyliminoethyl) thiohypofluorite

C3H7FN2S — CID 138502629

IUPAC(2-amino-2-methyliminoethyl) thiohypofluorite
SMILESC/N=C(/N)CSF
InChIInChI=1S/C3H7FN2S/c1-6-3(5)2-7-4/h2H2,1H3,(H2,5,6)
InChIKeyXFBWCXQRMFTQGE-UHFFFAOYSA-N
MW122.17 g/mol
LogP0.59
Rot. Bonds2

About (2-amino-2-methyliminoethyl) thiohypofluorite

(2-amino-2-methyliminoethyl) thiohypofluorite (PubChem CID 138502629) has the molecular formula C3H7FN2S and a molecular weight of 122.17 g/mol. Its IUPAC name is (2-amino-2-methyliminoethyl) thiohypofluorite.

Molecular Properties

Compound Name(2-amino-2-methyliminoethyl) thiohypofluorite
PubChem CID138502629
Molecular FormulaC3H7FN2S
Molecular Weight122.17 g/mol
Exact Mass122.03
IUPAC Name(2-amino-2-methyliminoethyl) thiohypofluorite
SMILESC/N=C(/N)CSF
InChIInChI=1S/C3H7FN2S/c1-6-3(5)2-7-4/h2H2,1H3,(H2,5,6)
InChIKeyXFBWCXQRMFTQGE-UHFFFAOYSA-N
XLogP0.59
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(4-fluorophenyl)sulfanyl-N'-methylethanimidamide
CID 66065532
N'-methylcarbamimidoyl fluoride
CID 141017236
4-amino-4-methyliminobutanamide
CID 87596187
N',3-dimethylbutanimidamide;hydrochloride
CID 141307691
4,4,4-trifluoro-N'-methyl-3-oxobutanimidamide
CID 57210956
N'-methyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylethanimidamide
CID 59071965
1-N'-methyl-3-N'-(methylamino)propanediimidamide
CID 163951189
2-cyclopropyl-N'-methylethanimidamide;hydrochloride
CID 146049492
(4-amino-4-methyliminobutyl)-trimethylazanium
CID 158143123
N',5,5-trimethylhexanimidamide
CID 59463982
2-cyclohexyl-N'-methylethanimidamide
CID 130678198
N'-methyl-3-methylidenepent-4-ynimidamide
CID 135293111

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-methyliminoethyl) thiohypofluorite?
The IUPAC name of (2-amino-2-methyliminoethyl) thiohypofluorite (CID 138502629) is (2-amino-2-methyliminoethyl) thiohypofluorite.
What is the SMILES notation for (2-amino-2-methyliminoethyl) thiohypofluorite?
The canonical SMILES for (2-amino-2-methyliminoethyl) thiohypofluorite is C/N=C(/N)CSF.
What is the InChIKey of (2-amino-2-methyliminoethyl) thiohypofluorite?
The InChIKey is XFBWCXQRMFTQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7FN2S/c1-6-3(5)2-7-4/h2H2,1H3,(H2,5,6).
What are the key properties of (2-amino-2-methyliminoethyl) thiohypofluorite?
(2-amino-2-methyliminoethyl) thiohypofluorite has a molecular weight of 122.17 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-methyliminoethyl) thiohypofluorite is sourced from PubChem (CID 138502629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).