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Details

Stereochemistry ACHIRAL
Molecular Formula C5H5N5S.H2O4S
Molecular Weight 265.27
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-Mercaptoadenine sulfate

SMILES

OS(O)(=O)=O.NC1=NC(=S)NC2=C1NC=N2

InChI

InChIKey=FLNFWLBPIADEAA-UHFFFAOYSA-N
InChI=1S/C5H5N5S.H2O4S/c6-3-2-4(8-1-7-2)10-5(11)9-3;1-5(2,3)4/h1H,(H4,6,7,8,9,10,11);(H2,1,2,3,4)

HIDE SMILES / InChI

Molecular Formula C5H5N5S
Molecular Weight 167.192
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula H2O4S
Molecular Weight 98.078
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 12:13:43 GMT 2023
Edited
by admin
on Sat Dec 16 12:13:43 GMT 2023
Record UNII
7K7L4P8BVQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-Mercaptoadenine sulfate
Common Name English
NSC-5932
Code English
6-amino-1,7-dihydropurine-2-thione sulfate
Systematic Name English
2H-Purine-2-thione, 6-amino-1,3-dihydro-, sulfate (1:1)
Systematic Name English
Code System Code Type Description
CAS
6281-92-1
Created by admin on Sat Dec 16 12:13:43 GMT 2023 , Edited by admin on Sat Dec 16 12:13:43 GMT 2023
PRIMARY
ECHA (EC/EINECS)
256-448-4
Created by admin on Sat Dec 16 12:13:43 GMT 2023 , Edited by admin on Sat Dec 16 12:13:43 GMT 2023
PRIMARY
EPA CompTox
DTXSID1068510
Created by admin on Sat Dec 16 12:13:43 GMT 2023 , Edited by admin on Sat Dec 16 12:13:43 GMT 2023
PRIMARY
FDA UNII
7K7L4P8BVQ
Created by admin on Sat Dec 16 12:13:43 GMT 2023 , Edited by admin on Sat Dec 16 12:13:43 GMT 2023
PRIMARY
CAS
49722-97-6
Created by admin on Sat Dec 16 12:13:43 GMT 2023 , Edited by admin on Sat Dec 16 12:13:43 GMT 2023
NON-SPECIFIC STOICHIOMETRY
NSC
5932
Created by admin on Sat Dec 16 12:13:43 GMT 2023 , Edited by admin on Sat Dec 16 12:13:43 GMT 2023
PRIMARY
PUBCHEM
3037177
Created by admin on Sat Dec 16 12:13:43 GMT 2023 , Edited by admin on Sat Dec 16 12:13:43 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE