2,3-Dihydro-2,8-bis(1-methylethyl)-3-thioxo-4H-1,4-benzoxazine-4-acetic acid
CAS Registry Number®
112808-22-7
CAS Name
2,3-Dihydro-2,8-bis(1-methylethyl)-3-thioxo-4H-1,4-benzoxazine-4-acetic acidMolecular Formula
C16H21NO3SMolecular Mass
307.41Cite 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. https://commonchemistry.cas.org/detail?cas_rn=112808-22-7 (retrieved ) (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