MMTD

Synonyms: "5-Methyl-1,3,4-thiadiazole-2-thiol", "2-Mercapto-5-methyl-1,3,4-thiadiazole", "5-methyl-3H-1,3,4-thiadiazole-2-thione", "MFCD00038349", "5-Methyl-1,3,4-thiadiazole-2(3H)-thione", "5-methyl-1,3,4-thiadiazol-2-thiol", "2-Methyl-5-mercapto-1,3,4-thiadiazole", "Cefazolin Impurity E"

Source: 2-mercapto-5-methyl-1,3,4-thiadiazole (MMTD) is an antibiotic.

Identifiers:

IUPAC Name: 5-methyl-3H-1,3,4-thiadiazole-2-thione
CAS Number: 29490-19-5
PubChem ID: 1810203
InChiKey: FPVUWZFFEGYCGB-UHFFFAOYSA-N
Canonical SMILES: CC1=NNC(=S)S1

Structural Properties:

Molecular Formula: C₃H₄N₂S₂
Molecular Weight: 132.21

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 3
Number of atoms different from hydrogen: 7

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2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

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Evidence Supporting This Chemical as an Emerging Contaminant

Ikehata, K., Gamal El-Din, M., & Snyder, S. A. (2008). Ozonation and advanced oxidation treatment of emerging organic pollutants in water and wastewater. Ozone: Science and Engineering, 30(1), 21-26.

External Links

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2D-structure

3D-structure