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Details

Stereochemistry ACHIRAL
Molecular Formula C12H10N3S
Molecular Weight 228.293
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of THIONINE CATION

SMILES

NC1=CC2=[S+]C3=C(C=CC(N)=C3)N=C2C=C1

InChI

InChIKey=CBBMGBGDIPJEMI-UHFFFAOYSA-N
InChI=1S/C12H10N3S/c13-7-1-3-9-11(5-7)16-12-6-8(14)2-4-10(12)15-9/h1-6H,13-14H2/q+1

HIDE SMILES / InChI

Molecular Formula C12H9N3S
Molecular Weight 227.285
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 Fri Dec 15 18:00:39 GMT 2023
Edited
by admin
on Fri Dec 15 18:00:39 GMT 2023
Record UNII
8CFV7T4334
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
THIONINE CATION
Common Name English
THIONINE BASE
Common Name English
3,7-DIAMINOPHENOTHIAZIN-5-IUM
Systematic Name English
PHENOTHIAZIN-5-IUM, 3,7-DIAMINO-
Systematic Name English
Code System Code Type Description
MESH
C435667
Created by admin on Fri Dec 15 18:00:39 GMT 2023 , Edited by admin on Fri Dec 15 18:00:39 GMT 2023
PRIMARY
CAS
26754-93-8
Created by admin on Fri Dec 15 18:00:39 GMT 2023 , Edited by admin on Fri Dec 15 18:00:39 GMT 2023
PRIMARY
FDA UNII
8CFV7T4334
Created by admin on Fri Dec 15 18:00:39 GMT 2023 , Edited by admin on Fri Dec 15 18:00:39 GMT 2023
PRIMARY
CHEBI
52926
Created by admin on Fri Dec 15 18:00:39 GMT 2023 , Edited by admin on Fri Dec 15 18:00:39 GMT 2023
PRIMARY
EPA CompTox
DTXSID601307427
Created by admin on Fri Dec 15 18:00:39 GMT 2023 , Edited by admin on Fri Dec 15 18:00:39 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
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ACTIVE MOIETY