(5-bromo-6-methoxybenzotriazol-1-yl) thiohypofluorite

C7H5BrFN3OS — CID 163251202

IUPAC(5-bromo-6-methoxybenzotriazol-1-yl) thiohypofluorite
SMILESCOc1cc2c(cc1Br)nnn2SF
InChIInChI=1S/C7H5BrFN3OS/c1-13-7-3-6-5(2-4(7)8)10-11-12(6)14-9/h2-3H,1H3
InChIKeyCYUIHIXEUBAHQQ-UHFFFAOYSA-N
MW278.11 g/mol
LogP2.58
Rot. Bonds2

About (5-bromo-6-methoxybenzotriazol-1-yl) thiohypofluorite

(5-bromo-6-methoxybenzotriazol-1-yl) thiohypofluorite (PubChem CID 163251202) has the molecular formula C7H5BrFN3OS and a molecular weight of 278.11 g/mol. Its IUPAC name is (5-bromo-6-methoxybenzotriazol-1-yl) thiohypofluorite.

Molecular Properties

Compound Name(5-bromo-6-methoxybenzotriazol-1-yl) thiohypofluorite
PubChem CID163251202
Molecular FormulaC7H5BrFN3OS
Molecular Weight278.11 g/mol
Exact Mass276.93
IUPAC Name(5-bromo-6-methoxybenzotriazol-1-yl) thiohypofluorite
SMILESCOc1cc2c(cc1Br)nnn2SF
InChIInChI=1S/C7H5BrFN3OS/c1-13-7-3-6-5(2-4(7)8)10-11-12(6)14-9/h2-3H,1H3
InChIKeyCYUIHIXEUBAHQQ-UHFFFAOYSA-N
XLogP2.58
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.11
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-6-methoxybenzotriazol-1-yl) thiohypofluorite?
The IUPAC name of (5-bromo-6-methoxybenzotriazol-1-yl) thiohypofluorite (CID 163251202) is (5-bromo-6-methoxybenzotriazol-1-yl) thiohypofluorite.
What is the SMILES notation for (5-bromo-6-methoxybenzotriazol-1-yl) thiohypofluorite?
The canonical SMILES for (5-bromo-6-methoxybenzotriazol-1-yl) thiohypofluorite is COc1cc2c(cc1Br)nnn2SF.
What is the InChIKey of (5-bromo-6-methoxybenzotriazol-1-yl) thiohypofluorite?
The InChIKey is CYUIHIXEUBAHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrFN3OS/c1-13-7-3-6-5(2-4(7)8)10-11-12(6)14-9/h2-3H,1H3.
What are the key properties of (5-bromo-6-methoxybenzotriazol-1-yl) thiohypofluorite?
(5-bromo-6-methoxybenzotriazol-1-yl) thiohypofluorite has a molecular weight of 278.11 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-6-methoxybenzotriazol-1-yl) thiohypofluorite is sourced from PubChem (CID 163251202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).