Benzylpenillic acid

CAS Registry Number®

13093-87-3

CAS Name

Benzylpenillic acid

Molecular Formula

C16H18N2O4S

Molecular Mass

334.39

Cite this Page

Benzylpenillic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=13093-87-3 (retrieved 2024-11-22) (CAS RN: 13093-87-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    180-182 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-10(8-9-6-4-3-5-7-9)17-11(14(19)20)13(18)23-16/h3-7,11-13H,8H2,1-2H3,(H,19,20)(H,21,22)

InChIKey

InChIKey=PSPRNQOVLYLHSA-UHFFFAOYSA-N

SMILES

C(O)(=O)C1N2C(C(C(O)=O)N=C2CC3=CC=CC=C3)SC1(C)C

Canonical SMILES

O=C(O)C1N=C(N2C1SC(C)(C)C2C(=O)O)CC=3C=CC=CC3

Other Names for this Substance

  • Imidazo[5,1-b]thiazole-3,7-dicarboxylic acid, 2,3,7,7a-tetrahydro-2,2-dimethyl-5-(phenylmethyl)-
  • Imidazo[5,1-b]thiazole-3,7-dicarboxylic acid, 5-benzyl-2,3,7,7a-tetrahydro-2,2-dimethyl-
  • 2,3,7,7a-Tetrahydro-2,2-dimethyl-5-(phenylmethyl)imidazo[5,1-b]thiazole-3,7-dicarboxylic acid
  • Benzylpenillic acid
  • NSC 76064

Deleted or Replaced CAS Registry Numbers

4302-64-1

CAS INSIGHTSTM
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