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Details

Stereochemistry ACHIRAL
Molecular Formula C11H9ClO2S
Molecular Weight 240.706
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TIANAFAC

SMILES

CC1=C(CC(O)=O)SC2=C1C=C(Cl)C=C2

InChI

InChIKey=QNJIHQOPIPJYLU-UHFFFAOYSA-N
InChI=1S/C11H9ClO2S/c1-6-8-4-7(12)2-3-9(8)15-10(6)5-11(13)14/h2-4H,5H2,1H3,(H,13,14)

HIDE SMILES / InChI

Molecular Formula C11H9ClO2S
Molecular Weight 240.706
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 18:00:56 UTC 2023
Edited
by admin
on Sat Dec 16 18:00:56 UTC 2023
Record UNII
P0T3ZRK3XV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TIANAFAC
INN  
INN  
Official Name English
tianafac [INN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C257
Created by admin on Sat Dec 16 18:00:56 UTC 2023 , Edited by admin on Sat Dec 16 18:00:56 UTC 2023
Code System Code Type Description
NCI_THESAURUS
C76819
Created by admin on Sat Dec 16 18:00:56 UTC 2023 , Edited by admin on Sat Dec 16 18:00:56 UTC 2023
PRIMARY
EVMPD
SUB11006MIG
Created by admin on Sat Dec 16 18:00:56 UTC 2023 , Edited by admin on Sat Dec 16 18:00:56 UTC 2023
PRIMARY
PUBCHEM
68686
Created by admin on Sat Dec 16 18:00:56 UTC 2023 , Edited by admin on Sat Dec 16 18:00:56 UTC 2023
PRIMARY
CAS
51527-19-6
Created by admin on Sat Dec 16 18:00:56 UTC 2023 , Edited by admin on Sat Dec 16 18:00:56 UTC 2023
PRIMARY
EPA CompTox
DTXSID70199495
Created by admin on Sat Dec 16 18:00:56 UTC 2023 , Edited by admin on Sat Dec 16 18:00:56 UTC 2023
PRIMARY
ChEMBL
CHEMBL2107056
Created by admin on Sat Dec 16 18:00:56 UTC 2023 , Edited by admin on Sat Dec 16 18:00:56 UTC 2023
PRIMARY
INN
3567
Created by admin on Sat Dec 16 18:00:56 UTC 2023 , Edited by admin on Sat Dec 16 18:00:56 UTC 2023
PRIMARY
SMS_ID
100000082158
Created by admin on Sat Dec 16 18:00:56 UTC 2023 , Edited by admin on Sat Dec 16 18:00:56 UTC 2023
PRIMARY
FDA UNII
P0T3ZRK3XV
Created by admin on Sat Dec 16 18:00:56 UTC 2023 , Edited by admin on Sat Dec 16 18:00:56 UTC 2023
PRIMARY
MESH
C006218
Created by admin on Sat Dec 16 18:00:56 UTC 2023 , Edited by admin on Sat Dec 16 18:00:56 UTC 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY