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1-Cyano-3-methyl-2-(2-{[(4-methyl-1H-imidazol-5-yl)methyl]sulfanyl}ethyl)guanidine(CAS: 60177-39-1)

1-Cyano-3-methyl-2-(2-{[(4-methyl-1H-imidazol-5-yl)methyl]sulfanyl}ethyl)guanidine
CAS Number

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Basic Information

Molecular Formula
C10H16N6S
Molecular Weight
241.36 g/mol
Physical State
yellow

Chemical Identifiers

SMILES
Cc1c([nH]cn1)CSCC/N=C(\NC)/NC#N
InChIKey
AQIXAKUUQRKLND-UHFFFAOYSA-N

Database References

MDL Number
MFCD00132708

FAQ

This compound is a crystalline solid with a molecular weight of approximately 416.46 g/mol. It has low water solubility but good solubility in organic solvents like dimethylformamide. It is not highly reactive under normal conditions but can undergo hydrolysis in basic media. It is stable under normal storage conditions but should be kept away from strong oxidants.
This compound is typically synthesized through a multi-step process involving the reaction of a cyano compound with a guanidine derivative in the presence of an appropriate catalyst. The reaction is carried out under mild conditions, and the product is isolated by column chromatography. Common catalysts include imidazolium salts, and the overall yield is around 75-80%.
This compound is primarily used in the pharmaceutical industry for its potential applications in anti-cancer drugs and as a precursor for other chemical intermediates. It is also explored for its use in the synthesis of advanced materials and in the development of new analytical techniques.
When handling this compound, appropriate personal protective equipment (PPE) should be worn, including gloves, goggles, and a lab coat. It should be stored in a fume hood and away from direct sunlight. Spills should be cleaned up using appropriate absorbent materials and disposed of according to local regulations. Always refer to the Material Safety Data Sheet (MSDS/SDS) for detailed 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

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