8-MERCAPTOISOCAFFEINE

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C8H10N4O2S
Molecular Weight	226.256
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 8-MERCAPTOISOCAFFEINE

Structure Search

SMILES

CN1C(=S)NC2=C1N(C)C(=O)N(C)C2=O

InChI

InChIKey=ULPYQIHKMUDZLR-UHFFFAOYSA-N

InChI=1S/C8H10N4O2S/c1-10-5-4(9-7(10)15)6(13)12(3)8(14)11(5)2/h1-3H3,(H,9,15)

HIDE SMILES / InChI

Molecular Formula	C8H10N4O2S
Molecular Weight	226.256
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 `Tue Apr 01 20:22:42 GMT 2025` Edited by `admin` on `Tue Apr 01 20:22:42 GMT 2025`
Record UNII	T2EN5JX3L5
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

NSC-14290

Preferred Name

English

8-MERCAPTOISOCAFFEINE

Common Name

English

3,7,8,9-TETRAHYDRO-1,3,9-TRIMETHYL-8-THIOXO-1H-PURINE-2,6-DIONE

Systematic Name

English

1H-PURINE-2,6-DIONE, 3,7,8,9-TETRAHYDRO-1,3,9-TRIMETHYL-8-THIOXO-

Systematic Name

English

URIC ACID, 1,3,9-TRIMETHYL-8-THIO-

Systematic Name

English

Code System Code Type Description

FDA UNII

T2EN5JX3L5

Created by admin on Tue Apr 01 20:22:42 GMT 2025 , Edited by admin on Tue Apr 01 20:22:42 GMT 2025

PRIMARY

CAS

2564-54-7

Created by admin on Tue Apr 01 20:22:42 GMT 2025 , Edited by admin on Tue Apr 01 20:22:42 GMT 2025

PRIMARY

NSC

14290

Created by admin on Tue Apr 01 20:22:42 GMT 2025 , Edited by admin on Tue Apr 01 20:22:42 GMT 2025

PRIMARY

PUBCHEM

3033923

Created by admin on Tue Apr 01 20:22:42 GMT 2025 , Edited by admin on Tue Apr 01 20:22:42 GMT 2025

PRIMARY

EPA CompTox

DTXSID50180326

Created by admin on Tue Apr 01 20:22:42 GMT 2025 , Edited by admin on Tue Apr 01 20:22:42 GMT 2025

PRIMARY