2-Mercaptoadenine

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C5H5N5S
Molecular Weight	167.192
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-Mercaptoadenine

Structure Search

SMILES

NC1=NC(=S)NC2=C1NC=N2

InChI

InChIKey=LQJZZLRZEPKRRQ-UHFFFAOYSA-N

InChI=1S/C5H5N5S/c6-3-2-4(8-1-7-2)10-5(11)9-3/h1H,(H4,6,7,8,9,10,11)

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

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 14:33:22 GMT 2025` Edited by `admin` on `Wed Apr 02 14:33:22 GMT 2025`
Record UNII	43X4752BZW
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-52758

Preferred Name

English

2-Mercaptoadenine

Common Name

English

2H-Purine-2-thione, 6-amino-3,7-dihydro-

Systematic Name

English

6-Amino-3,7-dihydro-2H-purine-2-thione

Systematic Name

English

2H-Purine-2-thione, 6-amino-1,3-dihydro-

Systematic Name

English

Code System Code Type Description

PUBCHEM

1502011

Created by admin on Wed Apr 02 14:33:22 GMT 2025 , Edited by admin on Wed Apr 02 14:33:22 GMT 2025

PRIMARY

NSC

52758

Created by admin on Wed Apr 02 14:33:22 GMT 2025 , Edited by admin on Wed Apr 02 14:33:22 GMT 2025

PRIMARY

CAS

3647-48-1

Created by admin on Wed Apr 02 14:33:22 GMT 2025 , Edited by admin on Wed Apr 02 14:33:22 GMT 2025

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FDA UNII

43X4752BZW

Created by admin on Wed Apr 02 14:33:22 GMT 2025 , Edited by admin on Wed Apr 02 14:33:22 GMT 2025

PRIMARY

EPA CompTox

DTXSID4063113

Created by admin on Wed Apr 02 14:33:22 GMT 2025 , Edited by admin on Wed Apr 02 14:33:22 GMT 2025

PRIMARY

Related Record Type Details


					7K7L4P8BVQ

2-Mercaptoadenine sulfate

SALT/SOLVATE -> PARENT

Amount: