Cas no 63132-71-8 (Carbamic acid, [(4-methylphenyl)sulfonyl]-, 2-butynyl ester)
![Carbamic acid, [(4-methylphenyl)sulfonyl]-, 2-butynyl ester structure](https://ossimg.kuujia.com/scimg/63500/63132-71-8x500.png)
63132-71-8 structure
Product Name:Carbamic acid, [(4-methylphenyl)sulfonyl]-, 2-butynyl ester
CAS No:63132-71-8
MF:C12H13NO4S
MW:267.30092215538
CID:427160
PubChem ID:12947173
Update Time:2025-04-19
Carbamic acid, [(4-methylphenyl)sulfonyl]-, 2-butynyl ester Chemical and Physical Properties
Names and Identifiers
-
- Carbamic acid, [(4-methylphenyl)sulfonyl]-, 2-butynyl ester
- but-2-ynyl N-(4-methylphenyl)sulfonylcarbamate
- 63132-71-8
- DTXSID80513623
- But-2-yn-1-yl (4-methylbenzene-1-sulfonyl)carbamate
- SCHEMBL10592693
-
- Inchi： 1S/C12H13NO4S/c1-3-4-9-17-12(14)13-18(15,16)11-7-5-10(2)6-8-11/h5-8H,9H2,1-2H3,(H,13,14)
- InChI Key： YJXPKDLHFHRUSX-UHFFFAOYSA-N
- SMILES： S(C1C=CC(C)=CC=1)(NC(=O)OCC#CC)(=O)=O
Computed Properties
- Exact Mass: 267.05659
- Monoisotopic Mass: 267.05652907g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 443
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.2
- Topological Polar Surface Area: 80.8?2
Experimental Properties
- PSA: 72.47
Carbamic acid, [(4-methylphenyl)sulfonyl]-, 2-butynyl ester Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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4. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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