Cas no 124831-44-3 (Carbamic acid,N-[2-(chlorothio)ethyl]-, 1,1-dimethylethyl ester)
![Carbamic acid,N-[2-(chlorothio)ethyl]-, 1,1-dimethylethyl ester structure](https://ossimg.kuujia.com/scimg/125000/124831-44-3x500.png)
124831-44-3 structure
Product Name:Carbamic acid,N-[2-(chlorothio)ethyl]-, 1,1-dimethylethyl ester
CAS No:124831-44-3
MF:C7H14ClNO2S
MW:211.70955991745
CID:103664
Update Time:2024-01-24
Carbamic acid,N-[2-(chlorothio)ethyl]-, 1,1-dimethylethyl ester Chemical and Physical Properties
Names and Identifiers
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- Carbamic acid,N-[2-(chlorothio)ethyl]-, 1,1-dimethylethyl ester
- Carbamic acid, [2-(chlorothio)ethyl]-, 1,1-dimethylethyl ester (9CI)
- Carbamic acid, N-[2-(chlorothio)ethyl]-, 1,1-dimethylethyl ester
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- Inchi： 1S/C7H14ClNO2S/c1-7(2,3)11-6(10)9-4-5-12-8/h4-5H2,1-3H3,(H,9,10)
- InChI Key： FVEYANZUTULVCR-UHFFFAOYSA-N
- SMILES： C(OC(C)(C)C)(=O)NCCSCl
Computed Properties
- Exact Mass: 211.04352
- Monoisotopic Mass: 211.043
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 147
- 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
- Topological Polar Surface Area: 63.6A^2
Experimental Properties
- PSA: 38.33
Carbamic acid,N-[2-(chlorothio)ethyl]-, 1,1-dimethylethyl ester Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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