1,3,4-Thiadiazolo[3,2-a]pyrimidin-4-ium, 5,7-dimethyl-2-thioxo-, inner salt

CAS Registry Number®

87253-83-6
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CAS Name

1,3,4-Thiadiazolo[3,2-a]pyrimidin-4-ium, 5,7-dimethyl-2-thioxo-, inner salt

Molecular Formula

C7H7N3S2

Cite this Page

1,3,4-Thiadiazolo[3,2-a]pyrimidin-4-ium, 5,7-dimethyl-2-thioxo-, inner salt.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=87253-83-6 (retrieved 2024-09-01) (CAS RN: 87253-83-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    220-221 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C7H7N3S2/c1-4-3-5(2)10-6(8-4)12-7(11)9-10/h3H,1-2H3

InChIKey

InChIKey=JQJIIAGVULRAON-UHFFFAOYSA-N

SMILES

CC1=[N+]2C(SC(=S)[N-]2)=NC(C)=C1

Canonical SMILES

S=C1[N-][N+]2=C(N=C(C=C2C)C)S1

Other Names for this Substance

  • 1,3,4-Thiadiazolo[3,2-a]pyrimidin-4-ium, 5,7-dimethyl-2-thioxo-, inner salt
  • 1,3,4-Thiadiazolo[3,2-a]pyrimidin-4-ium, 2,3-dihydro-5,7-dimethyl-2-thioxo-, inner salt
  • [5,7-Dimethyl-4λ5-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ylium-2-yl]sulfanide