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5,6-Dimethoxy-2-ethoxybenzothiazole

HCID 20522290
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CCOc1nc2cc(OC)c(OC)cc2s1
InChIKey
LHWHPBLODGIKBM-UHFFFAOYSA-N
Molecular formula
C11H13NO3S
Average molar mass
239.29 g/mol

Names & identifiers

Preferred name
5,6-Dimethoxy-2-ethoxybenzothiazole
IUPAC
2-ethoxy-5,6-dimethoxy-1,3-benzothiazole

Names & synonyms

SCHEMBL11208536LHWHPBLODGIKBM-UHFFFAOYSA-N5,6-dimethoxy-2-ethoxybenzothiazole

Database identifiers

PubChem CID
20522290

Properties

Computed structural properties

XLogP
3
Topological polar surface area
68.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
16
Formal charge
0
Complexity
229

Related reactions

2 records
New reaction record
HRID 135686 reaction equation
HRID 135686As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 223393 reaction equation
HRID 223393As reactantuspto-grants-1982_10

Compound notes

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