Cas no 505-44-2 (Iberin)
Iberin structure
Product Name:Iberin
CAS No:505-44-2
MF:C5H9NOS2
MW:163.261058568954
MDL:MFCD01076593
CID:369950
PubChem ID:10455
Update Time:2025-04-19
Iberin Chemical and Physical Properties
Names and Identifiers
-
- Propane,1-isothiocyanato-3-(methylsulfinyl)-
- Iberin
- 1-ISOTHIOCYANATO-3-(METHYLSULFINYL)PROPANE
- 1-isothiocyanato-3-methylsulfinylpropane
- IBERIN(RG)
- 3-Methylsulfinylpropyl isothiocyanate
- 3-Methylsulphinylpropylisothiocyanate
- C5H9NOS2
- METHYLSULFINYLPROPYLISOTHIOCYANATE
- sulfpraphane
- CS-6348
- EX-A6930
- 1-Isothiocyanato-3-(methylsulfinyl)propane #
- EN300-4274963
- NS00018052
- UNII-RZ680L4LP3
- 3-isothiocyanatopropyl methyl sulfoxide
- 505-44-2
- NSC-321801
- RZ680L4LP3
- SCHEMBL691776
- IMSP
- AKOS006275314
- Propane, 1-isothiocyanato-3-(methylsulfinyl)-
- HY-101413
- ISOTHIOCYANIC ACID, 3-(METHYLSULFINYL)PROPYL ESTER
- LELAOEBVZLPXAZ-UHFFFAOYSA-N
- BDBM50508485
- Q27161686
- 1-isothiocyanato-3-methanesulfinylpropane
- NSC321801
- CHEMBL4067519
- 1-isothiocyanato-3-(methylsulphinyl)propane
- CHEBI:89494
- NSC 321801
- DTXSID301339465
- G78372
- Propane, 1-isothiocyanato-3-(methylsulfinyl)-(9CI)
- 3-Methylsulfinyl propyl isothiocyanate
- Iberin?
- TS-07984
- DB-228725
-
- MDL： MFCD01076593
- Inchi： 1S/C5H9NOS2/c1-9(7)4-2-3-6-5-8/h2-4H2,1H3
- InChI Key： LELAOEBVZLPXAZ-UHFFFAOYSA-N
- SMILES： S(C)(CCCN=C=S)=O
Computed Properties
- Exact Mass: 163.01300
- Monoisotopic Mass: 163.012555
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 4
- Complexity: 140
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 1
- Topological Polar Surface Area: 80.7
Experimental Properties
- Color/Form: Not determined
- Density: 1.142 (estimate)
- Boiling Point: 240.37°C (rough estimate)
- Flash Point: 173 °C
- Refractive Index: 1.5237 (estimate)
- PSA: 80.73000
- LogP: 1.72350
- Solubility: Not determined
Iberin Security Information
- Storage Condition：Pure form -20°C 3 years ? 4°C 2 years In solvent -80°C 6 months ? -20°C 1 month
Iberin Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| MedChemExpress | HY-101413-1mg(61.25mM*100μLinEthanol) |
Iberin |
505-44-2 | 98.0% | 1mg(61.25mM*100μLinEthanol) |
￥800 | 2023-07-26 | |
| DC Chemicals | DC10361-100 mg |
Iberin |
505-44-2 | >98% | 100mg |
$550.0 | 2022-02-28 | |
| DC Chemicals | DC10361-250 mg |
Iberin |
505-44-2 | >98% | 250mg |
$1100.0 | 2022-02-28 | |
| DC Chemicals | DC10361-1 g |
Iberin |
505-44-2 | >98% | 1g |
$2200.0 | 2022-02-28 | |
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | I878762-2mg |
Iberin |
505-44-2 | ≥98% | 2mg |
￥1,260.00 | 2022-01-13 | |
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | I878762-10mg |
Iberin |
505-44-2 | ≥98% | 10mg |
￥4,280.00 | 2022-01-13 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | X80655-2mg |
IBERIN |
505-44-2 | ≥98% | 2mg |
￥1008.0 | 2023-09-05 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | X80655-10mg |
IBERIN |
505-44-2 | ≥98% | 10mg |
￥3428.0 | 2023-09-05 | |
| WU HAN AN JIE KAI Biomedical Technology Co., Ltd. | ajci18816-5mg |
Iberin |
505-44-2 | 5mg |
￥1940.00 | 2023-09-09 | ||
| WU HAN AN JIE KAI Biomedical Technology Co., Ltd. | ajci18816-10mg |
Iberin |
505-44-2 | 10mg |
￥2920.00 | 2023-09-09 |
Iberin Related Literature
-
Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
-
J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
-
Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
505-44-2 (Iberin) Related Products
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- 4478-93-7(Sulforaphane)
- 646-23-1(Pentane,1-isothiocyanato-5-(methylsulfinyl)-)
- 505-34-0(Propane,1-isothiocyanato-3-(methylsulfonyl)-)
- 836682-32-7(D,L-Sulforaphane-d8)
- 142825-10-3((R)-Sulforaphane)
- 75272-81-0(1-isothiocyanato-8-methylsulfinyloctane)
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