Benzyl (2-Oxo-1,3-Benzothiazol-3(2H)-Yl)Acetate

Molecule SVG Image

Properties Simple | Detailed

Formula C16H13NO3S
IUPAC Name benzyl 2-(2-oxo-1,3-benzothiazol-3-yl)acetate
Molecular Mass 299.344 g·mol−1
Heat of Formation -304.6 ± 16.7 kJ·mol−1
Dipole Moment 2.96 ± 1.08 D
Volume 344.31 Å 3
Surface Area 268.04 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy -0.84 ± eV
Point Group Symmetry C1
Synonyms
  • (2-oxo-benzothiazol-3-yl)-acetic acid benzyl ester
  • 2-(2-keto-1,3-benzothiazol-3-yl)acetic acid benzyl ester
  • 2-(2-oxo-1,3-benzothiazol-3-yl)acetic acid phenylmethyl ester
  • 2-oxo-3(2h)-benzothiazoleacetic acid phenylmethyl ester
  • 3(2h)-benzothiazoleacetic acid, 2-oxo-, phenylmethyl ester
  • 3-(benzyloxycarbonylmethyl)benzothiazolinone
  • bas 08977210
  • phenylmethyl 2-(2-oxo-1,3-benzothiazol-3-yl)ethanoate
  • phenylmethyl 2-oxo-3(2h)-benzothiazoleacetate
  • rastim 30 dkv
CAS Number(s)
  • 119584-53-1
InChIKey XXQSRUYGHFZBEY-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N