Cas no 27283-99-4 (3-Thiomorpholinecarboxylic acid, 6-(1-methylethyl)-5-oxo-)
27283-99-4 structure
Product Name:3-Thiomorpholinecarboxylic acid, 6-(1-methylethyl)-5-oxo-
CAS No:27283-99-4
MF:C8H13NO3S
MW:203.258721113205
CID:1431770
PubChem ID:12921312
Update Time:2025-04-20
3-Thiomorpholinecarboxylic acid, 6-(1-methylethyl)-5-oxo- Chemical and Physical Properties
Names and Identifiers
-
- 3-Thiomorpholinecarboxylic acid, 6-(1-methylethyl)-5-oxo-
- 6-(1-Methylethyl)-5-oxo-3-thiomorpholinecarboxylic acid
- 27283-99-4
- DTXSID901204911
-
- Inchi： 1S/C8H13NO3S/c1-4(2)6-7(10)9-5(3-13-6)8(11)12/h4-6H,3H2,1-2H3,(H,9,10)(H,11,12)
- InChI Key： SHPFTRDXLRRNSO-UHFFFAOYSA-N
- SMILES： S1CC(C(=O)O)NC(C1C(C)C)=O
Computed Properties
- Exact Mass: 203.06169
- Monoisotopic Mass: 203.06161445g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 229
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1
- Topological Polar Surface Area: 91.7?2
Experimental Properties
- PSA: 66.4
3-Thiomorpholinecarboxylic acid, 6-(1-methylethyl)-5-oxo- Related Literature
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1. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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