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Details

Stereochemistry ACHIRAL
Molecular Formula C12H4N6O12S
Molecular Weight 456.258
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Picryl sulfide

SMILES

[O-][N+](=O)C1=CC(=C(SC2=C(C=C(C=C2[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O)C(=C1)[N+]([O-])=O)[N+]([O-])=O

InChI

InChIKey=XHJPTLWIOZRBQB-UHFFFAOYSA-N
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

HIDE SMILES / InChI

Molecular Formula C12H4N6O12S
Molecular Weight 456.258
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 20:28:34 GMT 2025
Edited
by admin
on Tue Apr 01 20:28:34 GMT 2025
Record UNII
XL78QN6UV5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Picryl sulfide
Common Name English
NSC-243670
Preferred Name English
1,3,5-trinitro-2-(2,4,6-trinitrophenyl)sulfanylbenzene
Systematic Name English
Dipicryl sulfide
Common Name English
BENZENE, 1,1'-THIOBIS(2,4,6-TRINITRO-
Common Name English
1,1?-Thiobis[2,4,6-trinitrobenzene]
Systematic Name English
2,2?,4,4?,6,6?-Hexanitrodiphenyl sulfide
Systematic Name English
Code System Code Type Description
CAS
2217-06-3
Created by admin on Tue Apr 01 20:28:34 GMT 2025 , Edited by admin on Tue Apr 01 20:28:34 GMT 2025
PRIMARY
PUBCHEM
316175
Created by admin on Tue Apr 01 20:28:34 GMT 2025 , Edited by admin on Tue Apr 01 20:28:34 GMT 2025
PRIMARY
NSC
243670
Created by admin on Tue Apr 01 20:28:34 GMT 2025 , Edited by admin on Tue Apr 01 20:28:34 GMT 2025
PRIMARY
FDA UNII
XL78QN6UV5
Created by admin on Tue Apr 01 20:28:34 GMT 2025 , Edited by admin on Tue Apr 01 20:28:34 GMT 2025
PRIMARY
EPA CompTox
DTXSID60883811
Created by admin on Tue Apr 01 20:28:34 GMT 2025 , Edited by admin on Tue Apr 01 20:28:34 GMT 2025
PRIMARY
ECHA (EC/EINECS)
218-704-3
Created by admin on Tue Apr 01 20:28:34 GMT 2025 , Edited by admin on Tue Apr 01 20:28:34 GMT 2025
PRIMARY