Diethyl 2-(benzo[d]thiazol-2-yl)malonate

HCID 3922432

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

Related reactions

4 records

Compound notes

Loading…