(4-bromotriazol-2-yl) thiohypofluorite

C2HBrFN3S — CID 155395326

IUPAC(4-bromotriazol-2-yl) thiohypofluorite
SMILESFSn1ncc(Br)n1
InChIInChI=1S/C2HBrFN3S/c3-2-1-5-7(6-2)8-4/h1H
InChIKeyGJYPNRCLMQQLMV-UHFFFAOYSA-N
MW198.02 g/mol
LogP1.42
Rot. Bonds1

About (4-bromotriazol-2-yl) thiohypofluorite

(4-bromotriazol-2-yl) thiohypofluorite (PubChem CID 155395326) has the molecular formula C2HBrFN3S and a molecular weight of 198.02 g/mol. Its IUPAC name is (4-bromotriazol-2-yl) thiohypofluorite.

Molecular Properties

Compound Name(4-bromotriazol-2-yl) thiohypofluorite
PubChem CID155395326
Molecular FormulaC2HBrFN3S
Molecular Weight198.02 g/mol
Exact Mass196.91
IUPAC Name(4-bromotriazol-2-yl) thiohypofluorite
SMILESFSn1ncc(Br)n1
InChIInChI=1S/C2HBrFN3S/c3-2-1-5-7(6-2)8-4/h1H
InChIKeyGJYPNRCLMQQLMV-UHFFFAOYSA-N
XLogP1.42
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.02
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-bromotriazol-2-yl) thiohypofluorite?
The IUPAC name of (4-bromotriazol-2-yl) thiohypofluorite (CID 155395326) is (4-bromotriazol-2-yl) thiohypofluorite.
What is the SMILES notation for (4-bromotriazol-2-yl) thiohypofluorite?
The canonical SMILES for (4-bromotriazol-2-yl) thiohypofluorite is FSn1ncc(Br)n1.
What is the InChIKey of (4-bromotriazol-2-yl) thiohypofluorite?
The InChIKey is GJYPNRCLMQQLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HBrFN3S/c3-2-1-5-7(6-2)8-4/h1H.
What are the key properties of (4-bromotriazol-2-yl) thiohypofluorite?
(4-bromotriazol-2-yl) thiohypofluorite has a molecular weight of 198.02 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromotriazol-2-yl) thiohypofluorite is sourced from PubChem (CID 155395326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).