Basic information
- CAS
29198-44-5- Standard SMILES
CCOC(=O)C(C(=O)OCC)c1nc2ccccc2s1- InChIKey
YPYGJJFDQQUZIT-UHFFFAOYSA-N- Molecular formula
- C14H15NO4S
- Average molar mass
- 293.34 g/mol
- Monoisotopic mass
- 293.07217896
Names & identifiers
- Preferred name
- Diethyl 2-(benzo[d]thiazol-2-yl)malonate
- IUPAC
- diethyl 2-(1,3-benzothiazol-2-yl)propanedioate
Names & synonyms
29198-44-5diethyl 2-(benzo[d]thiazol-2-yl)malonatePropanedioic acid, 2-benzothiazolyl-, diethyl ester1,3-diethyl 2-(1,3-benzothiazol-2-yl)propanedioateSCHEMBL10653229DTXSID40397981YPYGJJFDQQUZIT-UHFFFAOYSA-NAKOS024284883ST079881DB-333955diethyl 2-(1,3-benzothiazol-2-yl)malonateDiethyl (1,3-benzothiazol-2-yl)propanedioate
Show more names
diethyl 2-benzothiazol-2-ylpropane-1,3-dioate
Database identifiers
- CAS
29198-44-5- PubChem CID
- 3922432
- DTXSID
DTXSID40397981- Nikkaji
- J465.220G
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 93.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 345
Related reactions
4 records
Compound notes
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