3-Heptyl-2-methylbenzothiazolium iodide

HCID 67572016
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Basic information

Standard SMILES
CCCCCCC[n+]1c(C)sc2ccccc21.[I-]
InChIKey
FRECYNLGBFCHGC-UHFFFAOYSA-M
Molecular formula
C15H22INS
Average molar mass
375.3 g/mol
Monoisotopic mass
375.05177

Names & identifiers

Preferred name
3-Heptyl-2-methylbenzothiazolium iodide
IUPAC
3-heptyl-2-methyl-1,3-benzothiazol-3-ium iodide

Names & synonyms

SCHEMBL8390652SCHEMBL8390654FRECYNLGBFCHGC-UHFFFAOYSA-M3-heptyl-2-methylbenzothiazolium iodide

Database identifiers

PubChem CID
67572016

Properties

Computed structural properties

Topological polar surface area
32.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
6
Heavy atoms
18

Related reactions

2 records
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Compound notes

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