Cas no 271600-32-9 (Carbamic acid, [2-methyl-1-[(4-methylphenyl)sulfonyl]propyl]-,1,1-dimethylethyl ester)
![Carbamic acid, [2-methyl-1-[(4-methylphenyl)sulfonyl]propyl]-,1,1-dimethylethyl ester structure](https://ossimg.kuujia.com/scimg/272000/271600-32-9x500.png)
271600-32-9 structure
Product Name:Carbamic acid, [2-methyl-1-[(4-methylphenyl)sulfonyl]propyl]-,1,1-dimethylethyl ester
CAS No:271600-32-9
MF:C16H25NO4S
MW:327.439003705978
CID:1431691
PubChem ID:11716863
Update Time:2025-04-20
Carbamic acid, [2-methyl-1-[(4-methylphenyl)sulfonyl]propyl]-,1,1-dimethylethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Carbamic acid, [2-methyl-1-[(4-methylphenyl)sulfonyl]propyl]-,1,1-dimethylethyl ester
- 271600-32-9
- tert-butyl (2-methyl-1-tosylpropyl)carbamate
- DB-418941
-
- Inchi： 1S/C16H25NO4S/c1-11(2)14(17-15(18)21-16(4,5)6)22(19,20)13-9-7-12(3)8-10-13/h7-11,14H,1-6H3,(H,17,18)
- InChI Key： ZEUAHZIFCHZVAF-UHFFFAOYSA-N
- SMILES： S(C1C=CC(C)=CC=1)(C(C(C)C)NC(=O)OC(C)(C)C)(=O)=O
Computed Properties
- Exact Mass: 327.15055
- Monoisotopic Mass: 327.15042945g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 22
- Rotatable Bond Count: 6
- Complexity: 465
- 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: 3.7
- Topological Polar Surface Area: 80.8?2
Experimental Properties
- PSA: 72.47
Carbamic acid, [2-methyl-1-[(4-methylphenyl)sulfonyl]propyl]-,1,1-dimethylethyl ester Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
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Alena Koukalová,?árka Pokorná,Aimee L. Boyle,Nestor Lopez Mora,Alexander Kros,Martin Hof,Radek ?achl Nanoscale, 2018,10, 19064-19073
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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