2-[(Cyanomethyl)sulfanyl]-N-[(5aR,6S)-6-methoxy-1,7-dioxo-1,4,6,7-tetrahydro-3H,5aH-azeto[2,1-b]furo[3,4-d][1,3]thiazin-6-yl]acetamide(CAS: 70993-70-3)
![2-[(Cyanomethyl)sulfanyl]-N-[(5aR,6S)-6-methoxy-1,7-dioxo-1,4,6,7-tetrahydro-3H,5aH-azeto[2,1-b]furo[3,4-d][1,3]thiazin-6-yl]acetamide 2-[(Cyanomethyl)sulfanyl]-N-[(5aR,6S)-6-methoxy-1,7-dioxo-1,4,6,7-tetrahydro-3H,5aH-azeto[2,1-b]furo[3,4-d][1,3]thiazin-6-yl]acetamide](https://static.chemtradehub.com/structs/709/70993-70-3-a3db.webp)
CAS Number
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Basic Information
Molecular Formula
C13H13N3O5S2
Molecular Weight
355.39 g/mol
Physical Properties
Boiling Point
803.6±65.0 °C at 760 mmHg
Density
1.6±0.1 g/cm3
Flash Point
439.8±34.3 °C
Chemical Identifiers
SMILES
CO[C@]1(NC(=O)CSCC#N)[C@H]2SCC3=C(N2C1=O)C(=O)OC3
InChIKey
GOWIXGITSXCYTK-OLZOCXBDSA-N
Database References
MDL Number
MFCD31560097
FAQ
This compound is a white or off-white crystalline solid with a molecular weight of approximately 489.5 g/mol. It is poorly soluble in water but soluble in organic solvents such as methanol and acetonitrile. The compound is known for its reactivity towards nucleophiles and electrophiles, making it useful in various chemical reactions. It has a melting point around 180-185°C and a pKa value of about 7.5.
This compound is typically synthesized via a multistep process involving the coupling of a cyanomethyl sulfide with a 1,4,6,7-tetrahydro-3H,5aH-azeto[2,1-b]furo[3,4-d][1,3]thiazin-6-ol derivative. The reaction is catalyzed by a palladium compound and a ligand under mild conditions, achieving high selectivity and yield. The detailed synthetic route and conditions are found in the literature.
This compound is primarily used in the pharmaceutical industry for its potential as a drug candidate. It is also of interest in the chemical and polymer industries for its reactivity and potential applications in material science. Its unique structure makes it suitable for developing new sensors and semiconductors, although specific applications are still under investigation.
When handling this compound, it is essential to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. It should be handled in a well-ventilated area or a fume hood. Spills should be cleaned up using appropriate absorbent materials and disposed of according to the Material Safety Data Sheet (MSDS) guidelines. Immediate medical attention should be sought if any exposure occurs. Always consult the latest SDS for specific safety information.
Safety Notice
Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.
Always follow proper handling procedures
Contact Information
Contact Person
Yao Manager
2286378907@qq.com


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