(5,6-difluoro-4-iodosulfanyl-2,1,3-benzoxadiazol-7-yl) thiohypoiodite

C6F2I2N2OS2 — CID 145325034

IUPAC(5,6-difluoro-4-iodosulfanyl-2,1,3-benzoxadiazol-7-yl) thiohypoiodite
SMILESFc1c(F)c(SI)c2nonc2c1SI
InChIInChI=1S/C6F2I2N2OS2/c7-1-2(8)6(15-10)4-3(5(1)14-9)11-13-12-4
InChIKeyLWEVVAOMENKDMN-UHFFFAOYSA-N
MW472.02 g/mol
LogP4.39
Rot. Bonds2

About (5,6-difluoro-4-iodosulfanyl-2,1,3-benzoxadiazol-7-yl) thiohypoiodite

(5,6-difluoro-4-iodosulfanyl-2,1,3-benzoxadiazol-7-yl) thiohypoiodite (PubChem CID 145325034) has the molecular formula C6F2I2N2OS2 and a molecular weight of 472.02 g/mol. Its IUPAC name is (5,6-difluoro-4-iodosulfanyl-2,1,3-benzoxadiazol-7-yl) thiohypoiodite.

Molecular Properties

Compound Name(5,6-difluoro-4-iodosulfanyl-2,1,3-benzoxadiazol-7-yl) thiohypoiodite
PubChem CID145325034
Molecular FormulaC6F2I2N2OS2
Molecular Weight472.02 g/mol
Exact Mass471.75
IUPAC Name(5,6-difluoro-4-iodosulfanyl-2,1,3-benzoxadiazol-7-yl) thiohypoiodite
SMILESFc1c(F)c(SI)c2nonc2c1SI
InChIInChI=1S/C6F2I2N2OS2/c7-1-2(8)6(15-10)4-3(5(1)14-9)11-13-12-4
InChIKeyLWEVVAOMENKDMN-UHFFFAOYSA-N
XLogP4.39
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.02
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5,6-difluoro-4-iodosulfanyl-2,1,3-benzoxadiazol-7-yl) thiohypoiodite?
The IUPAC name of (5,6-difluoro-4-iodosulfanyl-2,1,3-benzoxadiazol-7-yl) thiohypoiodite (CID 145325034) is (5,6-difluoro-4-iodosulfanyl-2,1,3-benzoxadiazol-7-yl) thiohypoiodite.
What is the SMILES notation for (5,6-difluoro-4-iodosulfanyl-2,1,3-benzoxadiazol-7-yl) thiohypoiodite?
The canonical SMILES for (5,6-difluoro-4-iodosulfanyl-2,1,3-benzoxadiazol-7-yl) thiohypoiodite is Fc1c(F)c(SI)c2nonc2c1SI.
What is the InChIKey of (5,6-difluoro-4-iodosulfanyl-2,1,3-benzoxadiazol-7-yl) thiohypoiodite?
The InChIKey is LWEVVAOMENKDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6F2I2N2OS2/c7-1-2(8)6(15-10)4-3(5(1)14-9)11-13-12-4.
What are the key properties of (5,6-difluoro-4-iodosulfanyl-2,1,3-benzoxadiazol-7-yl) thiohypoiodite?
(5,6-difluoro-4-iodosulfanyl-2,1,3-benzoxadiazol-7-yl) thiohypoiodite has a molecular weight of 472.02 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5,6-difluoro-4-iodosulfanyl-2,1,3-benzoxadiazol-7-yl) thiohypoiodite is sourced from PubChem (CID 145325034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).