(5-methyl-1,2,4-triazolidin-3-yl) thiohypofluorite

C3H8FN3S — CID 59878502

IUPAC(5-methyl-1,2,4-triazolidin-3-yl) thiohypofluorite
SMILESCC1NNC(SF)N1
InChIInChI=1S/C3H8FN3S/c1-2-5-3(8-4)7-6-2/h2-3,5-7H,1H3
InChIKeyOUVCVSGETWKPND-UHFFFAOYSA-N
MW137.18 g/mol
LogP-0.07
Rot. Bonds1

About (5-methyl-1,2,4-triazolidin-3-yl) thiohypofluorite

(5-methyl-1,2,4-triazolidin-3-yl) thiohypofluorite (PubChem CID 59878502) has the molecular formula C3H8FN3S and a molecular weight of 137.18 g/mol. Its IUPAC name is (5-methyl-1,2,4-triazolidin-3-yl) thiohypofluorite.

Molecular Properties

Compound Name(5-methyl-1,2,4-triazolidin-3-yl) thiohypofluorite
PubChem CID59878502
Molecular FormulaC3H8FN3S
Molecular Weight137.18 g/mol
Exact Mass137.04
IUPAC Name(5-methyl-1,2,4-triazolidin-3-yl) thiohypofluorite
SMILESCC1NNC(SF)N1
InChIInChI=1S/C3H8FN3S/c1-2-5-3(8-4)7-6-2/h2-3,5-7H,1H3
InChIKeyOUVCVSGETWKPND-UHFFFAOYSA-N
XLogP-0.07
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,2,4-triazolidin-3-yl) thiohypofluorite?
The IUPAC name of (5-methyl-1,2,4-triazolidin-3-yl) thiohypofluorite (CID 59878502) is (5-methyl-1,2,4-triazolidin-3-yl) thiohypofluorite.
What is the SMILES notation for (5-methyl-1,2,4-triazolidin-3-yl) thiohypofluorite?
The canonical SMILES for (5-methyl-1,2,4-triazolidin-3-yl) thiohypofluorite is CC1NNC(SF)N1.
What is the InChIKey of (5-methyl-1,2,4-triazolidin-3-yl) thiohypofluorite?
The InChIKey is OUVCVSGETWKPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8FN3S/c1-2-5-3(8-4)7-6-2/h2-3,5-7H,1H3.
What are the key properties of (5-methyl-1,2,4-triazolidin-3-yl) thiohypofluorite?
(5-methyl-1,2,4-triazolidin-3-yl) thiohypofluorite has a molecular weight of 137.18 g/mol, XLogP of -0.07, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,2,4-triazolidin-3-yl) thiohypofluorite is sourced from PubChem (CID 59878502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).