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Details

Stereochemistry ACHIRAL
Molecular Formula C4H5N3O2S
Molecular Weight 159.166
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-METHYL-4-NITRO-5-THIOIMIDAZOLE

SMILES

CN1C=NC(=C1S)[N+]([O-])=O

InChI

InChIKey=DPGGDVPPQMXEOF-UHFFFAOYSA-N
InChI=1S/C4H5N3O2S/c1-6-2-5-3(4(6)10)7(8)9/h2,10H,1H3

HIDE SMILES / InChI

Molecular Formula C4H5N3O2S
Molecular Weight 159.166
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Studies on the mechanism of formation of 5-mercapto-1-methyl-4-nitroimidazole, a metabolite of the immunosuppressive drug azathioprine.
1974 Jul 1
Effects of azathioprine on the human mixed lymphocyte reaction (MLR).
1983 Feb
Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 05:49:35 UTC 2023
Edited
by admin
on Sat Dec 16 05:49:35 UTC 2023
Record UNII
I6P7H2GT7J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-METHYL-4-NITRO-5-THIOIMIDAZOLE
Common Name English
IMIDAZOLE-5-THIOL, 1-METHYL-4-NITRO-
Systematic Name English
1H-IMIDAZOLE-5-THIOL, 1-METHYL-4-NITRO-
Systematic Name English
NSC-38074
Code English
AZATHIOPRINE IMPURITY D [EP IMPURITY]
Common Name English
5-MERCAPTO-1-METHYL-4-NITROIMIDAZOLE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID10212798
Created by admin on Sat Dec 16 05:49:36 UTC 2023 , Edited by admin on Sat Dec 16 05:49:36 UTC 2023
PRIMARY
PUBCHEM
95824
Created by admin on Sat Dec 16 05:49:36 UTC 2023 , Edited by admin on Sat Dec 16 05:49:36 UTC 2023
PRIMARY
CAS
6339-54-4
Created by admin on Sat Dec 16 05:49:36 UTC 2023 , Edited by admin on Sat Dec 16 05:49:36 UTC 2023
PRIMARY
FDA UNII
I6P7H2GT7J
Created by admin on Sat Dec 16 05:49:36 UTC 2023 , Edited by admin on Sat Dec 16 05:49:36 UTC 2023
PRIMARY
NSC
38074
Created by admin on Sat Dec 16 05:49:36 UTC 2023 , Edited by admin on Sat Dec 16 05:49:36 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY