6-Hydroxy-2-methyl-3-sulfanyl-1,2,4-triazin-5(2H)-one

Basic Information

View in Editor

CAS Number

58909-39-0

Molecular Formula

C4H5N3O2S

Molecular Weight

159.17 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Melting Point

168-171 °C

Boiling Point

272.3°C at 760 mmHg

Density

1.62

Flash Point

118ºC

Refractive Index

1.678

SMILES

View in Editor

CN1C(=S)NC(=O)C(=O)N1

InChI

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

InChIKey

UMWWHOXOVPIGFD-UHFFFAOYSA-N

LogP

-0.8688100000000005

Topological Polar Surface Area

70.65 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

215

Safety Information

View Safety Information

GHS Hazard Pictograms

H319

Hazard Statement

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

AC-13903
NS00034037
Tetrahydro-2-methyl-3-thioxo-1,2,4-triazine-5,6-dione, 97%
FT-0610373
CEFTRIAXONE SODIUM IMPURITY C [EP IMPURITY]
2-Methyl-3-sulfanyl-1,2-dihydro-1,2,4-triazine-5,6-dione
2-methyl-3-mercapto-6-hydroxy-2,5-dihydro-1,2,4-triazin-5-one
6-hydroxy-2-methyl-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one
UNII-679WF9Q9W1
1,2,3,4-Tetrahydro-2-methyl-3-thioxo-1,2,4-triazine-5,6-dione
2-methyl-3-thioxo-1,2,4-triazinane-5,6-dione
Ceftriaxone Impurity C
SY061807
1,2,4-Triazin-2-methyl-6-hydroxy-3-thio-5-one
EINECS 261-490-1
Tetrahydro-2-methyl-3-thioxo-1,2,4-triazine-5,6-dione
MLS006010407
SR-01000944806
AKOS025312531
J-509964
2-methyl-3-sulfanylidene-1,2,4-triazinane-5,6-dione
2-methyl-3-mercapto-5-oxo-6-hydroxy-2,5-dihydro-1,2,4-triazine
SMR004701407
58909-39-0
Thiotriazinone
1,2,3,4-Tetrahydro-2-methyl-3-thioxo-1,2,4-triazine-5.6-dione
2-Methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazine-3-thiol
SR-01000944806-1
1,2,4-Triazine-5,6-dione, tetrahydro-2-methyl-3-thioxo-
AKOS006228121
CS-0151199

MDL Number

MFCD00185756

Customs Code

2933699090

FAQ

What is 6-Hydroxy-2-methyl-3-sulfanyl-1,2,4-triazin-5(2H)-one (CAS: 58909-39-0)?

6-Hydroxy-2-methyl-3-sulfanyl-1,2,4-triazin-5(2H)-one, with CAS number 58909-39-0, is a heterocyclic organic compound containing a triazine ring. It has the chemical formula C5H7N3O2S and is characterized by its sulfur-containing functional group and triazine ring structure. This compound is known for its potential reactivity and is commonly used in chemical synthesis.

What are the main uses of 6-Hydroxy-2-methyl-3-sulfanyl-1,2,4-triazin-5(2H)-one (CAS: 58909-39-0)?

6-Hydroxy-2-methyl-3-sulfanyl-1,2,4-triazin-5(2H)-one is primarily used in pharmaceutical research as a building block for drug development. It also finds applications in organic synthesis and may be utilized in the production of agrochemicals or functional materials. Its unique chemical structure makes it valuable in the creation of compounds with specific biological activities.

Is 6-Hydroxy-2-methyl-3-sulfanyl-1,2,4-triazin-5(2H)-one (CAS: 58909-39-0) safe?

The safety of 6-Hydroxy-2-methyl-3-sulfanyl-1,2,4-triazin-5(2H)-one depends on exposure conditions. It is generally considered hazardous due to its potential irritant properties. Proper handling, such as using gloves and ensuring good ventilation, is essential. Safety data sheets should be consulted for full guidelines, and regulatory agencies may classify it based on toxicity levels.

How should 6-Hydroxy-2-methyl-3-sulfanyl-1,2,4-triazin-5(2H)-one (CAS: 58909-39-0) be stored?

6-Hydroxy-2-methyl-3-sulfanyl-1,2,4-triazin-5(2H)-one should be stored in a cool, dry, and well-ventilated area, away from light. It is recommended to keep it in a sealed container at a temperature below 25°C to maintain stability. Avoid exposure to moisture and incompatible substances to prevent degradation or unwanted reactions.