| Chemical & Physical Properties | |
|---|---|
| CAS Number | 505-34-0 |
| Catalog No. | 2A-9086978 |
| Chinese Name | Cherolin,Nrf2诱导剂 |
| Synonyms | Cheirolin; Methylpropylsulfone mustard oil; Cheiroline; 3-methanesulfonyl-propyl isothiocyanate |
| Molecular Formula | C5H9NO2S2 |
| Molecular Weight | 179.26 |
| Density | 1.23g/cm3 |
| Boiling Point | 380.3ºC at 760mmHg |
| Storage Condition | -20°C, dry |
| Application | Cheirolin is a biochemical reagent that can be used as a biological material or organic compound for life science-related research. |
| HTC | 2930909090 |
| SMILES | CS(=O)(=O)CCCN=C=S |
| InChI | InChI=1S/C5H9NO2S2/c1-10(7,8)4-2-3-6-5-9/h2-4H2,1H3 |
| InChI Key | ZSJGCHNCYSHQEU-UHFFFAOYSA-N |
| Use of | Cheirolin is a biochemical reagent that can be used as a biological material or organic compound for life science related research. Properties Name 1-isothiocyanato-3-methylsulfonylpropane Synonym More Synonyms Cherolin Biological Activity Description Cheirolin is a biochemical reagent that can be used as a biological material or organic compound for life science related research. Related Catalog Research Areas >> Others Signaling Pathways >> Others >> Others Chemical & Physical Properties Molecular Formula C5H9NO2S2 Exact Mass 179.00700 PSA 86.97000 LogP 1.60470 Index of Refraction 1.537 InChIKey ZSJGCHNCYSHQEU-UHFFFAOYSA-N SMILES CS(=O)(=O)CCCN=C=S Toxicological Information CHEMICAL IDENTIFICATION RTECS NUMBER : CHEMICAL NAME : Isothiocyanic acid, 3-(methylsulfonyl)propyl ester CAS REGISTRY NUMBER : BEILSTEIN REFERENCE NO. : LAST UPDATED : DATA ITEMS CITED : MOLECULAR FORMULA : C5-H9-N-O2-S2 MOLECULAR WEIGHT : HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : 85GDA2 "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980- Volume(issue)/page/year: 8(2),359,1982 Safety Information HS Code 2930909090 Synthetic Route Total: 1 Page glucocheirolin CAS#:15592-36-6 CAS#:505-34-0 Literature: Schneider Chemische Berichte, 1908 , vol. 41, p. 4469 Justus Liebigs Annalen der Chemie, 1910 , vol. 375, p. 229 Full Text Show Details Wagner Chemiker-Zeitung, Chemische Apparatur, 1908 , vol. 32, p. 77 3-(METHYLSULFON... CAS#:26209-83-6 CAS#:505-34-0 Literature: Schneider Justus Liebigs Annalen der Chemie, 1910 , vol. 375, p. 248 Thiophosgene CAS#:463-71-8 3-(METHYLSULFON... CAS#:26209-83-6 CAS#:505-34-0 Literature: Kjaer et al. Acta Chemica Scandinavica (1947-1973), 1953 , vol. 7, p. 1370,1373 Precursor & DownStream Precursor 3 CAS#:15592-36-6 glucocheirolin CAS#:26209-83-6 3-(METHYLSULFON... CAS#:463-71-8 Thiophosgene DownStream 3 CAS#:26209-83-6 3-(METHYLSULFON... CAS#:124-38-9 Carbon dioxide CAS#:7783-06-4 hydrogen sulfide |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 30.0% |
| Transport Info | Product name: Summary 2930909090. other organo-sulfur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
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