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

Details

Stereochemistry ACHIRAL
Molecular Formula C13H8Br3NOS
Molecular Weight 465.986
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of THIOSALAN

SMILES

SC1=C(C=C(Br)C=C1Br)C(=O)NC2=CC=C(Br)C=C2

InChI

InChIKey=OKHDITLYENFQED-UHFFFAOYSA-N
InChI=1S/C13H8Br3NOS/c14-7-1-3-9(4-2-7)17-13(18)10-5-8(15)6-11(16)12(10)19/h1-6,19H,(H,17,18)

HIDE SMILES / InChI

Molecular Formula C13H8Br3NOS
Molecular Weight 465.986
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Patents

Patents

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:18:57 GMT 2023
Edited
by admin
on Fri Dec 15 15:18:57 GMT 2023
Record UNII
18778VU19U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
THIOSALAN
USAN  
USAN  
Official Name English
TIOSALAN
INN  
INN  
Official Name English
3,4',5-TRIBROMO-2-MERCAPTOBENZANILIDE
Systematic Name English
BENZAMIDE, 3,5-DIBROMO-N-(4-BROMOPHENYL)-2-MERCAPTO-
Systematic Name English
tiosalan [INN]
Common Name English
THIOSALAN [USAN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C28394
Created by admin on Fri Dec 15 15:18:57 GMT 2023 , Edited by admin on Fri Dec 15 15:18:57 GMT 2023
Code System Code Type Description
FDA UNII
18778VU19U
Created by admin on Fri Dec 15 15:18:57 GMT 2023 , Edited by admin on Fri Dec 15 15:18:57 GMT 2023
PRIMARY
PUBCHEM
27451
Created by admin on Fri Dec 15 15:18:57 GMT 2023 , Edited by admin on Fri Dec 15 15:18:57 GMT 2023
PRIMARY
EPA CompTox
DTXSID90166149
Created by admin on Fri Dec 15 15:18:57 GMT 2023 , Edited by admin on Fri Dec 15 15:18:57 GMT 2023
PRIMARY
EVMPD
SUB11091MIG
Created by admin on Fri Dec 15 15:18:57 GMT 2023 , Edited by admin on Fri Dec 15 15:18:57 GMT 2023
PRIMARY
CAS
15686-78-9
Created by admin on Fri Dec 15 15:18:57 GMT 2023 , Edited by admin on Fri Dec 15 15:18:57 GMT 2023
PRIMARY
NCI_THESAURUS
C45678
Created by admin on Fri Dec 15 15:18:57 GMT 2023 , Edited by admin on Fri Dec 15 15:18:57 GMT 2023
CONCEPT Industrial Aid
INN
2419
Created by admin on Fri Dec 15 15:18:57 GMT 2023 , Edited by admin on Fri Dec 15 15:18:57 GMT 2023
PRIMARY
ChEMBL
CHEMBL2107581
Created by admin on Fri Dec 15 15:18:57 GMT 2023 , Edited by admin on Fri Dec 15 15:18:57 GMT 2023
PRIMARY
SMS_ID
100000077254
Created by admin on Fri Dec 15 15:18:57 GMT 2023 , Edited by admin on Fri Dec 15 15:18:57 GMT 2023
PRIMARY
NCI_THESAURUS
C152591
Created by admin on Fri Dec 15 15:18:57 GMT 2023 , Edited by admin on Fri Dec 15 15:18:57 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY