Picryl sulfide

CAS Registry Number®

2217-06-3

CAS Name

Picryl sulfide

Molecular Formula

C12H4N6O12S

Molecular Mass

456.26

Cite this Page

Picryl sulfide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2217-06-3 (retrieved 2024-11-22) (CAS RN: 2217-06-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    226 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C12H4N6O12S/c19-13(20)5-1-7(15(23)24)11(8(2-5)16(25)26)31-12-9(17(27)28)3-6(14(21)22)4-10(12)18(29)30/h1-4H

InChIKey

InChIKey=XHJPTLWIOZRBQB-UHFFFAOYSA-N

SMILES

S(C1=C(N(=O)=O)C=C(N(=O)=O)C=C1N(=O)=O)C2=C(N(=O)=O)C=C(N(=O)=O)C=C2N(=O)=O

Canonical SMILES

O=N(=O)C=1C=C(C(SC=2C(=CC(=CC2N(=O)=O)N(=O)=O)N(=O)=O)=C(C1)N(=O)=O)N(=O)=O

Other Names for this Substance

  • Benzene, 1,1′-thiobis[2,4,6-trinitro-
  • Picryl sulfide
  • 1,1′-Thiobis[2,4,6-trinitrobenzene]
  • 2,4,6,2′,4′,6′-Hexanitrodiphenyl sulfide
  • 2,4,6-Trinitrophenyl sulfide

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