Cas no 851729-55-0 (2-Cyano-3-methyl-2-butylbenzodithiolate)
851729-55-0 structure
Product Name:2-Cyano-3-methyl-2-butylbenzodithiolate
CAS No:851729-55-0
MF:C13H15NS2
MW:249.394900560379
CID:3168388
PubChem ID:121237553
Update Time:2025-04-21
2-Cyano-3-methyl-2-butylbenzodithiolate Chemical and Physical Properties
Names and Identifiers
-
- MFCD27978413
- (2-cyano-3-methylbutan-2-yl) benzenecarbodithioate
- 2-Cyano-3-methylbutan-2-yl benzodithioate
- 851729-55-0
- 1823268-46-7
- 2-Cyano-3-methyl-2-butylbenzodithiolate
-
- Inchi： 1S/C13H15NS2/c1-10(2)13(3,9-14)16-12(15)11-7-5-4-6-8-11/h4-8,10H,1-3H3
- InChI Key： PRUSTQNVWGJNSO-UHFFFAOYSA-N
- SMILES： S(C(C1C=CC=CC=1)=S)C(C#N)(C)C(C)C
Computed Properties
- Exact Mass: 249.06459183Da
- Monoisotopic Mass: 249.06459183Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 296
- 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
- XLogP3: 4.3
- Topological Polar Surface Area: 81.2?2
2-Cyano-3-methyl-2-butylbenzodithiolate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | 16-0528-100mg |
2-Cyano-3-methyl-2-butylbenzodithiolate |
851729-55-0 | 100mg |
1410.0CNY | 2021-07-10 | ||
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | 16-0528-100mg |
2-Cyano-3-methyl-2-butylbenzodithiolate |
851729-55-0 | 100mg |
1410CNY | 2021-05-08 |
2-Cyano-3-methyl-2-butylbenzodithiolate Related Literature
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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5. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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