1,4-Dihydro-4-oxo-2-thioxo-3(2H)-quinazolinebutanoic acid

CAS Registry Number®

34330-05-7
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CAS Name

1,4-Dihydro-4-oxo-2-thioxo-3(2H)-quinazolinebutanoic acid

Molecular Formula

C12H12N2O3S

Molecular Mass

264.30

Cite this Page

1,4-Dihydro-4-oxo-2-thioxo-3(2H)-quinazolinebutanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=34330-05-7 (retrieved 2024-09-07) (CAS RN: 34330-05-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    210-214 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C12H12N2O3S/c15-10(16)6-3-7-14-11(17)8-4-1-2-5-9(8)13-12(14)18/h1-2,4-5H,3,6-7H2,(H,13,18)(H,15,16)

InChIKey

InChIKey=MSINSMOFQBHROJ-UHFFFAOYSA-N

SMILES

O=C1C=2C(NC(=S)N1CCCC(O)=O)=CC=CC2

Canonical SMILES

O=C(O)CCCN1C(=O)C=2C=CC=CC2NC1=S

Other Names for this Substance

  • 3(2H)-Quinazolinebutanoic acid, 1,4-dihydro-4-oxo-2-thioxo-
  • 3(4H)-Quinazolinebutyric acid, 2-mercapto-4-oxo-
  • 1,4-Dihydro-4-oxo-2-thioxo-3(2H)-quinazolinebutanoic acid