(1-oxo-2,3-dihydro-1,2-benzothiazol-6-yl) thiohypofluorite

C7H6FNOS2 — CID 177150564

IUPAC(1-oxo-2,3-dihydro-1,2-benzothiazol-6-yl) thiohypofluorite
SMILESO=S1NCc2ccc(SF)cc21
InChIInChI=1S/C7H6FNOS2/c8-11-6-2-1-5-4-9-12(10)7(5)3-6/h1-3,9H,4H2
InChIKeyVRJUPSJDCJWOSU-UHFFFAOYSA-N
MW203.26 g/mol
LogP1.79
Rot. Bonds1

About (1-oxo-2,3-dihydro-1,2-benzothiazol-6-yl) thiohypofluorite

(1-oxo-2,3-dihydro-1,2-benzothiazol-6-yl) thiohypofluorite (PubChem CID 177150564) has the molecular formula C7H6FNOS2 and a molecular weight of 203.26 g/mol. Its IUPAC name is (1-oxo-2,3-dihydro-1,2-benzothiazol-6-yl) thiohypofluorite.

Molecular Properties

Compound Name(1-oxo-2,3-dihydro-1,2-benzothiazol-6-yl) thiohypofluorite
PubChem CID177150564
Molecular FormulaC7H6FNOS2
Molecular Weight203.26 g/mol
Exact Mass202.99
IUPAC Name(1-oxo-2,3-dihydro-1,2-benzothiazol-6-yl) thiohypofluorite
SMILESO=S1NCc2ccc(SF)cc21
InChIInChI=1S/C7H6FNOS2/c8-11-6-2-1-5-4-9-12(10)7(5)3-6/h1-3,9H,4H2
InChIKeyVRJUPSJDCJWOSU-UHFFFAOYSA-N
XLogP1.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-oxo-2,3-dihydro-1,2-benzothiazol-6-yl) thiohypofluorite?
The IUPAC name of (1-oxo-2,3-dihydro-1,2-benzothiazol-6-yl) thiohypofluorite (CID 177150564) is (1-oxo-2,3-dihydro-1,2-benzothiazol-6-yl) thiohypofluorite.
What is the SMILES notation for (1-oxo-2,3-dihydro-1,2-benzothiazol-6-yl) thiohypofluorite?
The canonical SMILES for (1-oxo-2,3-dihydro-1,2-benzothiazol-6-yl) thiohypofluorite is O=S1NCc2ccc(SF)cc21.
What is the InChIKey of (1-oxo-2,3-dihydro-1,2-benzothiazol-6-yl) thiohypofluorite?
The InChIKey is VRJUPSJDCJWOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FNOS2/c8-11-6-2-1-5-4-9-12(10)7(5)3-6/h1-3,9H,4H2.
What are the key properties of (1-oxo-2,3-dihydro-1,2-benzothiazol-6-yl) thiohypofluorite?
(1-oxo-2,3-dihydro-1,2-benzothiazol-6-yl) thiohypofluorite has a molecular weight of 203.26 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-oxo-2,3-dihydro-1,2-benzothiazol-6-yl) thiohypofluorite is sourced from PubChem (CID 177150564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).