3-(Methylthio)phenyl isothiocyanate
3-(Methylthio)phenyl isothiocyanate (CAS: 51333-80-3, Formula: CH3C6H4NCS) is a versatile organic sulfur compound with a molecular weight of 181.28 g/mol. This chemical serves as a valuable building block in organic synthesis and chemical research. Its unique structure, featuring both a methylthio and an isothiocyanate group, allows for diverse reactivity in various chemical transformations. Tech Serve Solutions supplies this reagent for laboratory and industrial applications.

Organic Synthesis Intermediate
Utilised as a key intermediate in the synthesis of more complex organic molecules. The isothiocyanate moiety readily reacts with nucleophiles, making it useful for creating thioureas, heterocyclic compounds, and other sulfur-containing derivatives.
Chemical Research Reagent
Employed in academic and industrial research laboratories for exploring new synthetic pathways and developing novel chemical entities. Its specific functional groups offer opportunities for diverse chemical modifications and functionalisation.
Building Block for Heterocycles
Serves as a precursor for the construction of various heterocyclic ring systems, which are prevalent in pharmaceuticals and agrochemicals.
| Molecular weight | 181.28 |
|---|---|
| Linear formula | CH3C6H4NCS |
| Assay | 97% |
| Boiling point | 306-307 °C(lit.) |
| Density | 1.211 g/mL at 25 °C(lit.) |
| Refractive index | n20/D >1.3930(lit.) |


Hazard statements
- H302Harmful if swallowed
- H312Harmful in contact with skin
- H315Causes skin irritation
- H319Causes serious eye irritation
- H332Harmful if inhaled
- H334May cause allergy or asthma symptoms if inhaled
- H335May cause respiratory irritation
Precautionary statements
- P261Avoid breathing dust, fume, gas or vapours
- P280Wear protective gloves, clothing and eye/face protection
- P305IF IN EYES
- P342
| Protective equipment | Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter |
|---|---|
| Flash point | 110 °C / 230 °F |
| Water hazard class (WGK, DE) | 3 |
| Hazard codes (EU) | Xn |
| Risk statements (R) | 20/21/22-36/37/38-42 |
| Safety statements (S) | 23-26-36 |
Hazard information is provided for guidance. Always consult the product Safety Data Sheet (SDS), available on request, before handling.
Documentation
Every batch ships with a Certificate of Analysis covering assay, identity and purity; the grade is confirmed against your enquiry. Safety Data Sheets and technical data sheets are available on request.
Supply & logistics
Samples for technical evaluation; bulk MOQ by grade and packaging. In-stock material ships in 7–10 working days, worldwide, with full export documentation.
What is 3-(Methylthio)phenyl isothiocyanate used for?
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3-(Methylthio)phenyl isothiocyanate is primarily used as an intermediate in organic synthesis and as a reagent in chemical research for constructing complex organic molecules and heterocyclic compounds.
What is the CAS number and chemical formula for 3-(Methylthio)phenyl isothiocyanate?
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The CAS number is 51333-80-3 and the chemical formula is CH3C6H4NCS.
What grade and purity does Tech Serve Solutions supply?
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Tech Serve Solutions supplies 3-(Methylthio)phenyl isothiocyanate with an assay of 97%. We do not represent this product as USP, BP, or EP grade.
How should 3-(Methylthio)phenyl isothiocyanate be handled?
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Handle with appropriate personal protective equipment, including eyeshields, gloves, and a suitable respirator, as it is classified as dangerous with hazards including skin, eye, and respiratory irritation, and is harmful if swallowed, in contact with skin, or inhaled. Avoid breathing vapours. P261-P280-P305 + P351 + P338-P342 + P311.
Is 3-(Methylthio)phenyl isothiocyanate supplied internationally?
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Yes, Tech Serve Solutions is a specialist global supplier and exporter of fine chemicals, including 3-(Methylthio)phenyl isothiocyanate.
How can I request a quote or sample?
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Please contact our sales team or use the online inquiry form on our website to request a quote or a sample of 3-(Methylthio)phenyl isothiocyanate.
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