505-79-3
Product Name:
3-(Methylthio)propyl isothiocyanate
Formula:
C5H9NS2
Synonyms:
radish isothiocyanate
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Colourless to yellow liquid; Raddish-like, irritating aroma |
|---|---|
| Boiling Point | 254.00 °C. @ 760.00 mm Hg |
| Solubility | Insoluble in water |
| Density | 1.099-1.105 |
| Refractive Index | 1.560-1.566 |
| Kovats Retention Index | 1287 1291 1260 |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation |
| Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P332+P313:IF SKIN irritation occurs: Get medical advice/attention. P337+P313:IF eye irritation persists: Get medical advice/attention. |
COMPUTED DESCRIPTORS
| Molecular Weight | 147.3 g/mol |
|---|---|
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 147.01764164 g/mol |
| Monoisotopic Mass | 147.01764164 g/mol |
| Topological Polar Surface Area | 69.8 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 86.4 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
3-(Methylthio)propyl isothiocyanate is a natural product found in Brassica oleracea with data available.