CAS Number505-79-3
SynonymsMFCD00209521; Isothiocyanic Acid 3-(Methylthio)propyl Ester; 3-(Methylthio)propyl isothiocyanate; 1-isothiocyanato-3-methylsulfanylpropane; EINECS 208-020-3
Molecular FormulaCH3S(CH2)3NCS
Molecular Weight147.26
Purity≥98%
Density1.102 g/mL at 25 °C(lit.)
Boiling Point254 °C (lit.)
AppearanceColorless to yellow transparent liquid
EINECS208-020-3
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 505-79-3 |
| Catalog No. | 2A-9022364 |
| Chinese Name | 3-(甲硫基)丙基异硫氰酸酯 |
| Synonyms | MFCD00209521; Isothiocyanic Acid 3-(Methylthio)propyl Ester; 3-(Methylthio)propyl isothiocyanate; 1-isothiocyanato-3-methylsulfanylpropane; EINECS 208-020-3 |
| Molecular Formula | CH3S(CH2)3NCS |
| Molecular Weight | 147.26 |
| Purity | ≥98 |
| Density | 1.102 g/mL at 25 °C(lit.) |
| Boiling Point | 254 °C (lit.) |
| Appearance | Colorless to yellow transparent liquid |
| Storage Condition | Store sealed and placed in a ventilated, dry envir |
| Packaging | III |
| EINECS | 208-020-3 |
| HTC | 2930909090 |
| PubChem ID | 24901632 |
| MDL Number | MFCD00209521 |
| SMILES | CSCCCN=C=S |
| InChI | 1S/C5H9NS2/c1-8-4-2-3-6-5-7/h2-4H2,1H3 |
| InChI Key | LDKSCZJUIURGMW-UHFFFAOYSA-N |
| NACRES Code | NA.21 |
| UNSPSC | 12164502 |
| Hazard Symbols | 6.1 |
| MSDS | msds/22364_1_505_79_3.pdf |
| Use of | Iberverin is a sulforaphane homolog and antioxidant found in cruciferous vegetables. It induces phase II enzyme activity and decreases expression of androgen receptors in prostate cancer cells. Properties Name 3-(Methylthio)propyl Isothiocyanate Synonym More Synonyms Chemical & Physical Properties Molecular Formula C5H9NS2 Exact Mass 147.01800 PSA 69.75000 LogP 1.84230 InChIKey LDKSCZJUIURGMW-UHFFFAOYSA-N SMILES CSCCCN=C=S |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 30.0% |
| Transport Info | Shipping Name: UN |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Land Transport Dangerous Regulations: -International Maritime Transport Dangerous Regulations: -International Air Transport Dangerous Regulations: 3334 14.2 United Nations shipping name European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods Aviation regulated liquid, n.o.s. (3-Methylthiopropyl isothiocyanate) 14.3 Transport hazard categories European land transport danger code: -International sea transport danger code: -International air transport danger code: 9 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Transport Dangerous Regulations: -International Air Transport Dangerous Regulations: III 14.5 Environmental hazards European Land Transport Danger Regulations: No International Maritime Danger Regulations International Air Transport Danger Regulations: No Marine pollutants (yes/no): No 14.6 Special reminder to users No data available |
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