(7-bromoindazol-1-yl) thiohypofluorite

C7H4BrFN2S — CID 142349145

IUPAC(7-bromoindazol-1-yl) thiohypofluorite
SMILESFSn1ncc2cccc(Br)c21
InChIInChI=1S/C7H4BrFN2S/c8-6-3-1-2-5-4-10-11(12-9)7(5)6/h1-4H
InChIKeyPUHODQAYETVYIV-UHFFFAOYSA-N
MW247.09 g/mol
LogP3.18
Rot. Bonds1

About (7-bromoindazol-1-yl) thiohypofluorite

(7-bromoindazol-1-yl) thiohypofluorite (PubChem CID 142349145) has the molecular formula C7H4BrFN2S and a molecular weight of 247.09 g/mol. Its IUPAC name is (7-bromoindazol-1-yl) thiohypofluorite.

Molecular Properties

Compound Name(7-bromoindazol-1-yl) thiohypofluorite
PubChem CID142349145
Molecular FormulaC7H4BrFN2S
Molecular Weight247.09 g/mol
Exact Mass245.93
IUPAC Name(7-bromoindazol-1-yl) thiohypofluorite
SMILESFSn1ncc2cccc(Br)c21
InChIInChI=1S/C7H4BrFN2S/c8-6-3-1-2-5-4-10-11(12-9)7(5)6/h1-4H
InChIKeyPUHODQAYETVYIV-UHFFFAOYSA-N
XLogP3.18
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.09
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (7-bromoindazol-1-yl) thiohypofluorite?
The IUPAC name of (7-bromoindazol-1-yl) thiohypofluorite (CID 142349145) is (7-bromoindazol-1-yl) thiohypofluorite.
What is the SMILES notation for (7-bromoindazol-1-yl) thiohypofluorite?
The canonical SMILES for (7-bromoindazol-1-yl) thiohypofluorite is FSn1ncc2cccc(Br)c21.
What is the InChIKey of (7-bromoindazol-1-yl) thiohypofluorite?
The InChIKey is PUHODQAYETVYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrFN2S/c8-6-3-1-2-5-4-10-11(12-9)7(5)6/h1-4H.
What are the key properties of (7-bromoindazol-1-yl) thiohypofluorite?
(7-bromoindazol-1-yl) thiohypofluorite has a molecular weight of 247.09 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-bromoindazol-1-yl) thiohypofluorite is sourced from PubChem (CID 142349145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).