2-Methyl-5-(oxiran-2-ylmethoxy)benzothiazole

HCID 9920872
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Basic information

Standard SMILES
Cc1nc2cc(OCC3CO3)ccc2s1
InChIKey
YSPRCDGVFRVBED-UHFFFAOYSA-N
Molecular formula
C11H11NO2S
Average molar mass
221.28 g/mol

Names & identifiers

Preferred name
2-Methyl-5-(oxiran-2-ylmethoxy)benzothiazole
IUPAC
2-methyl-5-(oxiran-2-ylmethoxy)-1,3-benzothiazole

Names & synonyms

449756-83-62-methyl-5-(oxiran-2-ylmethoxy)benzothiazole2-Methyl-5-(2-oxiranylmethoxy)-1,3-benzothiazoleSCHEMBL3960135YSPRCDGVFRVBED-UHFFFAOYSA-NDB-285888Benzothiazole, 2-methyl-5-(oxiranylmethoxy)-2-methyl-5-(oxiran-2-ylmethoxy) benzothiazole

Database identifiers

PubChem CID
9920872

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
62.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
15

Related reactions

20 records
New reaction record

Linked notes

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