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

Basic Information

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CAS Number

60177-39-1

Molecular Formula

C10H16N6S

Molecular Weight

241.36 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Physical State

yellow

SMILES

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Cc1c([nH]cn1)CSCC/N=C(\NC)/NC#N

InChI

InChI=1S/C10H16N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14)

InChIKey

AQIXAKUUQRKLND-UHFFFAOYSA-N

LogP

0.7461199999999998

Topological Polar Surface Area

65.1 Å²

Hydrogen Bond Donor/Acceptor

3 / 5

Complexity

315

Synonyms & References

English

quat. amine divinylbenzene/styrene copolymer, Cl ion form
Amberjet(R) 4200 chloride form
Amberjet(R) 4200-Cl
Amberjet&reg: 4200-Cl
Amberlite(R) 4200-cl
Poly(styrene-co-divinylbenzene) with quaternary amine functionality
ION EXCHANGER DOWEX 1-X8 (STRONGLY BASIC
2017strong base phenylethylene 1 type anion exchange resins
benzenemethanaminium,ar-ethenyl-n,n,n-trimethyl-,chloride,polymerwithdieth
Benzenemethanaminium,ar-ethenyl-N,N,N-trimethyl-,chloride,polymerwithdiethenylbenzene
Benzenemethanaminium,ar-ethenyl-N,N,N-trimethylchloride,polymerwithdiethenylbenzene
Divinylbenzene,vinylbenzyltrimethylammoniumchloride
AMBERJET 4200-CL
AMBERLITE(R) IRA-400 (CL)
'AMBERJET' 4200CL
AMBERJET(TM) 4200 CHLORIDE FORM
AMberjet? 4200-Cl
AMBERLITE IRA-400
Benzenemethanaminium, ar-ethenyl-N,N,N-trimethyl-, chloride, polymer with diethenylbenzene (9CI)
Benzene, diethenyl-, polymer with ar-ethenyl-N,N,N-trimethylbenzenemethanaminium chloride (9CI)
(Vinylbenzyl)trimethylammonium chloride-divinylbenzene copolymer
Amberlite IRA 400 Chloride
Divinylbenzene-N-vinylbenzyl-N,N,N-trimethylammonium chloride copolymer
Divinylbenzene-vinylbenzyltrimethylammonium chloride copolymer

MDL Number

MFCD00132708

Customs Code

3914 00 00

FAQ

What are the physical and chemical properties of 1-Cyano-3-methyl-2-(2-{[(4-methyl-1H-imidazol-5-yl)methyl]sulfanyl}ethyl)guanidine (CAS: 60177-39-1)?

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.

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

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%.

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

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.

What precautions should be taken when handling 1-Cyano-3-methyl-2-(2-{[(4-methyl-1H-imidazol-5-yl)methyl]sulfanyl}ethyl)guanidine (CAS: 60177-39-1)?

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.