Cas no 737001-02-4 ((R)-(-)-3-METHYL-2-BUTYL ISOTHIOCYANATE)
(R)-(-)-3-Methyl-2-butyl isothiocyanate is a chiral isothiocyanate compound characterized by its stereospecific configuration at the 2-position. This optically active molecule is commonly utilized in organic synthesis, particularly in the preparation of chiral thioureas and other sulfur-containing derivatives. Its high enantiomeric purity makes it valuable for asymmetric synthesis and pharmaceutical research, where precise stereochemistry is critical. The compound’s reactivity as an electrophile allows for efficient conjugation with nucleophiles, enabling applications in ligand design and bioactive molecule development. Careful handling is recommended due to its potential lachrymatory properties and sensitivity to moisture. Suitable storage under inert conditions ensures stability and prolonged shelf life.
737001-02-4 structure
Product Name:(R)-(-)-3-METHYL-2-BUTYL ISOTHIOCYANATE
CAS No:737001-02-4
MF:C6H11NS
MW:129.2232401371
CID:891450
PubChem ID:7016578
Update Time:2025-06-08
(R)-(-)-3-METHYL-2-BUTYL ISOTHIOCYANATE Chemical and Physical Properties
Names and Identifiers
-
- (R)-(-)-3-METHYL-2-BUTYL ISOTHIOCYANATE
- (2R)-2-isothiocyanato-3-methylbutane
- SCHEMBL944820
- AKOS025295679
- E81889
- 737001-02-4
- CS-0147057
- DTXSID00426867
- DB-235296
-
- MDL： MFCD05664058
- Inchi： 1S/C6H11NS/c1-5(2)6(3)7-4-8/h5-6H,1-3H3/t6-/m1/s1
- InChI Key： YAVRRVJBEIYPRH-ZCFIWIBFSA-N
- SMILES： S=C=N[C@H](C)C(C)C
Computed Properties
- Exact Mass: 129.06100
- Monoisotopic Mass: 129.06122053g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 8
- Rotatable Bond Count: 2
- Complexity: 103
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.3
- Topological Polar Surface Area: 44.4?2
Experimental Properties
- Density: 0.924
- Refractive Index: 1.4911
- PSA: 44.45000
- LogP: 2.13370
- Sensitiveness: Moisture Sensitive
(R)-(-)-3-METHYL-2-BUTYL ISOTHIOCYANATE Security Information
- Hazardous Material transportation number：UN2810
- HazardClass：6.1
- PackingGroup：III
- Packing Group：III
- Hazard Level：6.1
- Packing Group：III
- Safety Term：6.1
(R)-(-)-3-METHYL-2-BUTYL ISOTHIOCYANATE Pricemore >>
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|---|---|---|---|---|---|---|---|---|
| Chemenu | CM543633-1g |
(R)-(-)-3-Methyl-2-butyl isothiocyanate |
737001-02-4 | 95%+ | 1g |
$123 | 2023-02-01 | |
| eNovation Chemicals LLC | Y1236146-1g |
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737001-02-4 | 95% | 1g |
$205 | 2023-05-17 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1217697-100mg |
(R)-(-)-3-Methyl-2-butyl isothiocyanate |
737001-02-4 | 95% | 100mg |
￥?ň? | 2023-07-25 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1217697-250mg |
(R)-(-)-3-Methyl-2-butyl isothiocyanate |
737001-02-4 | 95% | 250mg |
￥??? | 2023-07-25 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1217697-1g |
(R)-(-)-3-Methyl-2-butyl isothiocyanate |
737001-02-4 | 95% | 1g |
￥??ň | 2023-07-25 | |
| A FA AI SHA ， SAI MO FEI SHI ER KE JI QI XIA GONG SI | L20071-1g |
(R)-(-)-3-Methyl-2-butyl isothiocyanate, 97% |
737001-02-4 | 97% | 1g |
￥1840.00 | 2023-02-26 | |
| A2B Chem LLC | AB55432-50mg |
(R)-(-)-3-METHYL-2-BUTYL ISOTHIOCYANATE |
737001-02-4 | 97% | 50mg |
$73.00 | 2024-04-19 | |
| A2B Chem LLC | AB55432-250mg |
(R)-(-)-3-METHYL-2-BUTYL ISOTHIOCYANATE |
737001-02-4 | 97% | 250mg |
$154.00 | 2024-04-19 | |
| A2B Chem LLC | AB55432-1g |
(R)-(-)-3-METHYL-2-BUTYL ISOTHIOCYANATE |
737001-02-4 | 97% | 1g |
$362.00 | 2024-04-19 |
(R)-(-)-3-METHYL-2-BUTYL ISOTHIOCYANATE Related Literature
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
-
Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
-
Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
-
Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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