Structure

Tazasubrate

CAS
79071-15-1
Catalog Number
ACM79071151
Category
Other Products
Molecular Weight
359.468
Molecular Formula
C18H17NO3S2

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Specification

Synonyms
Tazasubrate, UNII-6SGF1AP698, Emd 34853, Emd-34853, CID174749, 2-Phenyl-(6-ethoxybenzothiazolyl-2-thio)propionic acid, Benzeneacetic acid, alpha-((6-ethoxy-2-benzothiazolyl)thio)-alpha-methyl-, Benzeneacetic acid, alpha-(((6-ethoxy-2-benzothiazolyl)thio)methyl)-, (+-)-, 79071-15-1, 89482-60-0
IUPAC Name
2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-2-phenylpropanoic acid
Canonical SMILES
CCOC1=CC2=C(C=C1)N=C(S2)SC(C)(C3=CC=CC=C3)C(=O)O
InChI Key
FREWOKWARGJVCE-UHFFFAOYSA-N
Boiling Point
531.5ºC at 760 mmHg
Flash Point
275.3ºC
Density
1.36g/cm³
Exact Mass
359.06500
H-Bond Acceptor
4
H-Bond Donor
1
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