3-(Methylthio)propyl isothiocyanate
ALDRICH/W331201 - ≥98%, FG
Synonym: radish isothiocyanate
CAS Number: 505-79-3
Empirical Formula (Hill Notation): C5H9NS2
Molecular Weight: 147.26
EC Number: 208-020-3
MDL Number: MFCD00209521
Linear Formula: CH3S(CH2)3NCS
Product Type: Chemical
| agency | meets purity specifications of JECFA |
| application(s) | flavors and fragrances |
| assay | ≥98% |
| biological source | synthetic |
| bp | 254 °C (lit.) |
| density | 1.102 g/mL at 25 °C (lit.) |
| documentation | see Safety & Documentation for available documents |
| food allergen | no known allergens |
| grade | FG |
| Halal | |
| Kosher | |
| InChI | 1S/C5H9NS2/c1-8-4-2-3-6-5 |
| InChI key | LDKSCZJUIURGMW-UHFFFAOYSA |
| organoleptic | pungent; vegetable; sulfurous |
| Quality Level | 400  |
| refractive index | n |
| reg. compliance | EU Regulation 1334/2008 & 178/2002 |
| SMILES string | CSCCCN=C=S |
).