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Details

Stereochemistry ACHIRAL
Molecular Formula C12H13Br2N3S
Molecular Weight 391.125
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(2,5-Dibromobenzothioyl)-1,3,5-triazabicyclo(3.2.1)octane

SMILES

BrC1=CC(C(=S)N2CN3CCN(C3)C2)=C(Br)C=C1

InChI

InChIKey=WBSYJJKMCFZFOC-UHFFFAOYSA-N
InChI=1S/C12H13Br2N3S/c13-9-1-2-11(14)10(5-9)12(18)17-7-15-3-4-16(6-15)8-17/h1-2,5H,3-4,6-8H2

HIDE SMILES / InChI

Molecular Formula C12H13Br2N3S
Molecular Weight 391.125
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 12:48:19 GMT 2023
Edited
by admin
on Sat Dec 16 12:48:19 GMT 2023
Record UNII
8NMD2GMX94
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(2,5-Dibromobenzothioyl)-1,3,5-triazabicyclo(3.2.1)octane
Systematic Name English
NSC-298244
Code English
(2,5-Dibromophenyl)-1,3,5-triazabicyclo[3.2.1]oct-3-ylmethanethione
Systematic Name English
1,3,5-Triazabicyclo[3.2.1]octane, 3-[(2,5-dibromophenyl)thioxomethyl]-
Systematic Name English
Methanethione, (2,5-dibromophenyl)-1,3,5-triazabicyclo[3.2.1]oct-3-yl-
Systematic Name English
Code System Code Type Description
CAS
58789-67-6
Created by admin on Sat Dec 16 12:48:19 GMT 2023 , Edited by admin on Sat Dec 16 12:48:19 GMT 2023
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EPA CompTox
DTXSID00207517
Created by admin on Sat Dec 16 12:48:19 GMT 2023 , Edited by admin on Sat Dec 16 12:48:19 GMT 2023
PRIMARY
PUBCHEM
326578
Created by admin on Sat Dec 16 12:48:19 GMT 2023 , Edited by admin on Sat Dec 16 12:48:19 GMT 2023
PRIMARY
NSC
298244
Created by admin on Sat Dec 16 12:48:19 GMT 2023 , Edited by admin on Sat Dec 16 12:48:19 GMT 2023
PRIMARY
FDA UNII
8NMD2GMX94
Created by admin on Sat Dec 16 12:48:19 GMT 2023 , Edited by admin on Sat Dec 16 12:48:19 GMT 2023
PRIMARY