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Details

Stereochemistry ACHIRAL
Molecular Formula C5H4N4OS
Molecular Weight 168.176
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-THIOXANTHINE

SMILES

O=C1NC2=C(N=CN2)C(=S)N1

InChI

InChIKey=RJOXFJDOUQJOMQ-UHFFFAOYSA-N
InChI=1S/C5H4N4OS/c10-5-8-3-2(4(11)9-5)6-1-7-3/h1H,(H3,6,7,8,9,10,11)

HIDE SMILES / InChI

Molecular Formula C5H4N4OS
Molecular Weight 168.176
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 12:41:21 UTC 2023
Edited
by admin
on Sat Dec 16 12:41:21 UTC 2023
Record UNII
2HLR5DQG0J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-THIOXANTHINE
Systematic Name English
2-HYDROXY-6-THIOPURINE
Common Name English
3,6-DIHYDRO-6-THIOXO-9H-PURINE-2(1H)-ONE
Systematic Name English
NSC-12160
Code English
2H-PURIN-2-ONE, 1,3,6,9-TETRAHYDRO-6-THIOXO-
Systematic Name English
2-HYDROXY-6-MERCAPTOPURINE
Common Name English
2H-PURIN-2-ONE, 1,3,6,7-TETRAHYDRO-6-THIOXO- XANTHINE, 6-THIO-
Systematic Name English
1,3,6,9-TETRAHYDRO-6-THIOXO-2H-PURIN-2-ONE
Systematic Name English
6-MERCAPTOXANTHINE
Common Name English
Code System Code Type Description
PUBCHEM
1268107
Created by admin on Sat Dec 16 12:41:22 UTC 2023 , Edited by admin on Sat Dec 16 12:41:22 UTC 2023
PRIMARY
CAS
2002-59-7
Created by admin on Sat Dec 16 12:41:22 UTC 2023 , Edited by admin on Sat Dec 16 12:41:22 UTC 2023
PRIMARY
NSC
12160
Created by admin on Sat Dec 16 12:41:22 UTC 2023 , Edited by admin on Sat Dec 16 12:41:22 UTC 2023
PRIMARY
FDA UNII
2HLR5DQG0J
Created by admin on Sat Dec 16 12:41:22 UTC 2023 , Edited by admin on Sat Dec 16 12:41:22 UTC 2023
PRIMARY
EPA CompTox
DTXSID80173842
Created by admin on Sat Dec 16 12:41:22 UTC 2023 , Edited by admin on Sat Dec 16 12:41:22 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
Mediator Substance is XO