(4,6-dimethyl-1,3,5-triazin-2-yl) thiohypofluorite

C5H6FN3S — CID 21028517

IUPAC(4,6-dimethyl-1,3,5-triazin-2-yl) thiohypofluorite
SMILESCc1nc(C)nc(SF)n1
InChIInChI=1S/C5H6FN3S/c1-3-7-4(2)9-5(8-3)10-6/h1-2H3
InChIKeyLSIWERRWYYIMOR-UHFFFAOYSA-N
MW159.19 g/mol
LogP1.47
Rot. Bonds1

About (4,6-dimethyl-1,3,5-triazin-2-yl) thiohypofluorite

(4,6-dimethyl-1,3,5-triazin-2-yl) thiohypofluorite (PubChem CID 21028517) has the molecular formula C5H6FN3S and a molecular weight of 159.19 g/mol. Its IUPAC name is (4,6-dimethyl-1,3,5-triazin-2-yl) thiohypofluorite.

Molecular Properties

Compound Name(4,6-dimethyl-1,3,5-triazin-2-yl) thiohypofluorite
PubChem CID21028517
Molecular FormulaC5H6FN3S
Molecular Weight159.19 g/mol
Exact Mass159.03
IUPAC Name(4,6-dimethyl-1,3,5-triazin-2-yl) thiohypofluorite
SMILESCc1nc(C)nc(SF)n1
InChIInChI=1S/C5H6FN3S/c1-3-7-4(2)9-5(8-3)10-6/h1-2H3
InChIKeyLSIWERRWYYIMOR-UHFFFAOYSA-N
XLogP1.47
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4,6-dimethyl-1,3,5-triazin-2-yl) thiohypofluorite?
The IUPAC name of (4,6-dimethyl-1,3,5-triazin-2-yl) thiohypofluorite (CID 21028517) is (4,6-dimethyl-1,3,5-triazin-2-yl) thiohypofluorite.
What is the SMILES notation for (4,6-dimethyl-1,3,5-triazin-2-yl) thiohypofluorite?
The canonical SMILES for (4,6-dimethyl-1,3,5-triazin-2-yl) thiohypofluorite is Cc1nc(C)nc(SF)n1.
What is the InChIKey of (4,6-dimethyl-1,3,5-triazin-2-yl) thiohypofluorite?
The InChIKey is LSIWERRWYYIMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6FN3S/c1-3-7-4(2)9-5(8-3)10-6/h1-2H3.
What are the key properties of (4,6-dimethyl-1,3,5-triazin-2-yl) thiohypofluorite?
(4,6-dimethyl-1,3,5-triazin-2-yl) thiohypofluorite has a molecular weight of 159.19 g/mol, XLogP of 1.47, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-dimethyl-1,3,5-triazin-2-yl) thiohypofluorite is sourced from PubChem (CID 21028517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).