Cas no 29518-83-0 (tert-butyl methylsulfanylformate)
29518-83-0 structure
Product Name:tert-butyl methylsulfanylformate
CAS No:29518-83-0
MF:C6H12O2S
MW:148.223280906677
CID:288327
PubChem ID:260131
Update Time:2025-04-19
tert-butyl methylsulfanylformate Chemical and Physical Properties
Names and Identifiers
-
- tert-butyl methylsulfanylformate
- DTXSID90293621
- NSC91016
- NSC-91016
- SCHEMBL4376025
- 29518-83-0
-
- Inchi: 1S/C6H12O2S/c1-6(2,3)8-5(7)9-4/h1-4H3
- InChI Key: PLJMFAMJFJGOHB-UHFFFAOYSA-N
- SMILES: S(C)C(=O)OC(C)(C)C
Computed Properties
- Exact Mass: 148.05586
- Monoisotopic Mass: 148.056
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 3
- Complexity: 104
- 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
- Topological Polar Surface Area: 51.6?2
Experimental Properties
- Density: 1.021
- Boiling Point: 173.9°Cat760mmHg
- Flash Point: 62.9°C
- Refractive Index: 1.457
- PSA: 26.3
tert-butyl methylsulfanylformate Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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