2,3-Dihydro-2,8-bis(1-methylethyl)-3-thioxo-4H-1,4-benzoxazine-4-acetic acid

CAS Registry Number®

112808-22-7
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CAS Name

2,3-Dihydro-2,8-bis(1-methylethyl)-3-thioxo-4H-1,4-benzoxazine-4-acetic acid

Molecular Formula

C16H21NO3S

Molecular Mass

307.41

Cite this Page

2,3-Dihydro-2,8-bis(1-methylethyl)-3-thioxo-4H-1,4-benzoxazine-4-acetic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=112808-22-7 (retrieved 2024-09-19) (CAS RN: 112808-22-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    158-159 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C16H21NO3S/c1-9(2)11-6-5-7-12-15(11)20-14(10(3)4)16(21)17(12)8-13(18)19/h5-7,9-10,14H,8H2,1-4H3,(H,18,19)

InChIKey

InChIKey=CLDJCRWXLDLJLO-UHFFFAOYSA-N

SMILES

C(C)(C)C1=C2C(N(CC(O)=O)C(=S)C(C(C)C)O2)=CC=C1

Canonical SMILES

O=C(O)CN1C2=CC=CC(=C2OC(C1=S)C(C)C)C(C)C

Other Names for this Substance

  • 4H-1,4-Benzoxazine-4-acetic acid, 2,3-dihydro-2,8-bis(1-methylethyl)-3-thioxo-
  • 2,3-Dihydro-2,8-bis(1-methylethyl)-3-thioxo-4H-1,4-benzoxazine-4-acetic acid
  • AD 5467
  • 2-(2,8-Diisopropyl-3-thioxo-2H-benzo[b][1,4]oxazin-4(3H)-yl)acetic acid

Deleted or Replaced CAS Registry Numbers

138333-32-1