Cas no 76400-80-1 (Carbamic acid,(2,2-dimercaptoethyl)-, 1,1-dimethylethyl ester (9CI))
76400-80-1 structure
Product Name:Carbamic acid,(2,2-dimercaptoethyl)-, 1,1-dimethylethyl ester (9CI)
CAS No:76400-80-1
MF:C7H15NO2S2
MW:209.329499483109
CID:561287
PubChem ID:45092092
Update Time:2025-04-19
Carbamic acid,(2,2-dimercaptoethyl)-, 1,1-dimethylethyl ester (9CI) Chemical and Physical Properties
Names and Identifiers
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- Carbamic acid,(2,2-dimercaptoethyl)-, 1,1-dimethylethyl ester (9CI)
- tert-butyl N-[2,2-bis(sulfanyl)ethyl]carbamate
- tert-Butyl [2,2-bis(sulfanyl)ethyl]carbamate
- 76400-80-1
- DTXSID00666928
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- Inchi： 1S/C7H15NO2S2/c1-7(2,3)10-6(9)8-4-5(11)12/h5,11-12H,4H2,1-3H3,(H,8,9)
- InChI Key： ASFKPDDLTYPBQS-UHFFFAOYSA-N
- SMILES： SC(CNC(=O)OC(C)(C)C)S
Computed Properties
- Exact Mass: 209.05442107g/mol
- Monoisotopic Mass: 209.05442107g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 154
- 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: 1.7
- Topological Polar Surface Area: 40.3?2
Carbamic acid,(2,2-dimercaptoethyl)-, 1,1-dimethylethyl ester (9CI) Related Literature
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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2. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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Xin Li,Liangliang Zhu,Sai Duan,Yanli Zhao,Hans ?gren Phys. Chem. Chem. Phys., 2014,16, 23854-23860
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