U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C16H10BrNO2S2
Molecular Weight 392.29
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (5-BROMO-3,6-DIPHENYL-1,4-DITHIIN-2-YL)(HYDROXY)AZANE OXIDE

SMILES

[O-][N+](=O)C1=C(SC(Br)=C(S1)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChIKey=SWKBBSCOHMIXAT-UHFFFAOYSA-N
InChI=1S/C16H10BrNO2S2/c17-15-13(11-7-3-1-4-8-11)22-16(18(19)20)14(21-15)12-9-5-2-6-10-12/h1-10H

HIDE SMILES / InChI

Molecular Formula C16H10BrNO2S2
Molecular Weight 392.29
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 Sat Dec 16 12:55:35 GMT 2023
Edited
by admin
on Sat Dec 16 12:55:35 GMT 2023
Record UNII
SH4K7Y5NXR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(5-BROMO-3,6-DIPHENYL-1,4-DITHIIN-2-YL)(HYDROXY)AZANE OXIDE
Systematic Name English
1,4-DITHIIN, 2-BROMO-5-NITRO-3,6-DIPHENYL-
Systematic Name English
2-BROMO-5-NITRO-3,6-DIPHENYL-1,4-DITHIIN
Systematic Name English
NSC-43080
Code English
2-BROMO-5-NITRO-3,6-DIPHENYL-1,4-DITHIINE
Systematic Name English
Code System Code Type Description
PUBCHEM
238620
Created by admin on Sat Dec 16 12:55:35 GMT 2023 , Edited by admin on Sat Dec 16 12:55:35 GMT 2023
PRIMARY
CAS
6317-70-0
Created by admin on Sat Dec 16 12:55:35 GMT 2023 , Edited by admin on Sat Dec 16 12:55:35 GMT 2023
PRIMARY
EPA CompTox
DTXSID50212515
Created by admin on Sat Dec 16 12:55:35 GMT 2023 , Edited by admin on Sat Dec 16 12:55:35 GMT 2023
PRIMARY
NSC
43080
Created by admin on Sat Dec 16 12:55:35 GMT 2023 , Edited by admin on Sat Dec 16 12:55:35 GMT 2023
PRIMARY
FDA UNII
SH4K7Y5NXR
Created by admin on Sat Dec 16 12:55:35 GMT 2023 , Edited by admin on Sat Dec 16 12:55:35 GMT 2023
PRIMARY