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Key Documents

549746

Sigma-Aldrich

Tetrahydro-2-methyl-3-thioxo-1,2,4-triazine-5,6-dione

97%

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About This Item

Empirical Formula (Hill Notation):
C4H5N3O2S
CAS Number:
Molecular Weight:
159.17
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Assay

97%

mp

168-171 °C (lit.)

SMILES string

CN1NC(=O)C(=O)NC1=S

InChI

1S/C4H5N3O2S/c1-7-4(10)5-2(8)3(9)6-7/h1H3,(H,6,9)(H,5,8,10)

InChI key

UMWWHOXOVPIGFD-UHFFFAOYSA-N

General description

Tetrahydro-2-methyl-3-thioxo-1,2,4-triazine-5,6-dione is an intermediate for synthesizing ceftriaxone.

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Hazard Classifications

Eye Irrit. 2

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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Mio Tange et al.
Chemical & pharmaceutical bulletin, 64(3), 207-214 (2016-03-05)
Ceftriaxone sodium preparation for injection is known to form insoluble microparticles with calcium. The purpose of this study was to evaluate the role of an impurity in the ceftriaxone sodium preparation on this incompatibility. Firstly, using HPLC, two impurities were

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