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Details

Stereochemistry RACEMIC
Molecular Formula C6H9N3O2S
Molecular Weight 187.22
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of THIOHISTIDINE, DL-

SMILES

NC(CC1=CNC(=S)N1)C(O)=O

InChI

InChIKey=FVNKWWBXNSNIAR-UHFFFAOYSA-N
InChI=1S/C6H9N3O2S/c7-4(5(10)11)1-3-2-8-6(12)9-3/h2,4H,1,7H2,(H,10,11)(H2,8,9,12)

HIDE SMILES / InChI

Molecular Formula C6H9N3O2S
Molecular Weight 187.22
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:17:11 GMT 2023
Edited
by admin
on Sat Dec 16 09:17:11 GMT 2023
Record UNII
80WXM66177
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
THIOHISTIDINE, DL-
Common Name English
1H-IMIDAZOLE-4-PROPANOIC ACID, .ALPHA.-AMINO-2,3-DIHYDRO-2-THIOXO-
Systematic Name English
HISTIDINE, 2-MERCAPTO-
Systematic Name English
2-THIOLHISTIDINE [MI]
Common Name English
2-THIOLHISTIDINE, DL-
Common Name English
DL-2-HISTIDINETHIOL
Systematic Name English
2-THIOLHISTIDINE
MI  
Common Name English
Code System Code Type Description
MERCK INDEX
m10764
Created by admin on Sat Dec 16 09:17:11 GMT 2023 , Edited by admin on Sat Dec 16 09:17:11 GMT 2023
PRIMARY Merck Index
CAS
13552-61-9
Created by admin on Sat Dec 16 09:17:11 GMT 2023 , Edited by admin on Sat Dec 16 09:17:11 GMT 2023
PRIMARY
PUBCHEM
3037745
Created by admin on Sat Dec 16 09:17:11 GMT 2023 , Edited by admin on Sat Dec 16 09:17:11 GMT 2023
PRIMARY
CAS
51302-10-4
Created by admin on Sat Dec 16 09:17:11 GMT 2023 , Edited by admin on Sat Dec 16 09:17:11 GMT 2023
SUPERSEDED
EPA CompTox
DTXSID90929034
Created by admin on Sat Dec 16 09:17:11 GMT 2023 , Edited by admin on Sat Dec 16 09:17:11 GMT 2023
PRIMARY
FDA UNII
80WXM66177
Created by admin on Sat Dec 16 09:17:11 GMT 2023 , Edited by admin on Sat Dec 16 09:17:11 GMT 2023
PRIMARY