3-Bromo-s-triazolo(3,4-b)benzothiazole

HCID 21392831
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Basic information

Standard SMILES
Brc1nnc2sc3ccccc3n12
InChIKey
DRSGVSZQVTWKEB-UHFFFAOYSA-N
Molecular formula
C8H4BrN3S
Average molar mass
254.11 g/mol
Monoisotopic mass
252.93093

Names & identifiers

Preferred name
3-Bromo-s-triazolo(3,4-b)benzothiazole
IUPAC
1-bromo-[1,2,4]triazolo[3,4-b][1,3]benzothiazole

Names & synonyms

SCHEMBL11744129DRSGVSZQVTWKEB-UHFFFAOYSA-N3-Bromo-s-triazolo(3,4-b)benzothiazole3-bromo-sym-triazolo[3,4-b]benzothiazole

Database identifiers

PubChem CID
21392831

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
58.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
13

Related reactions

2 records
New reaction record

Linked notes

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