Cas no 59888-47-0 (2,10,10-trimethyl-3-methylidene-10a-sulfanylpyrazino[1,2-a]indole-1,4-dione)
![2,10,10-trimethyl-3-methylidene-10a-sulfanylpyrazino[1,2-a]indole-1,4-dione structure](https://ossimg.kuujia.com/scimg/60000/59888-47-0x500.png)
59888-47-0 structure
Product Name:2,10,10-trimethyl-3-methylidene-10a-sulfanylpyrazino[1,2-a]indole-1,4-dione
CAS No:59888-47-0
MF:C15H16N2O2S
MW:288.364742279053
CID:950835
PubChem ID:325327
Update Time:2025-04-19
2,10,10-trimethyl-3-methylidene-10a-sulfanylpyrazino[1,2-a]indole-1,4-dione Chemical and Physical Properties
Names and Identifiers
-
- 2,10,10-trimethyl-3-methylidene-10a-sulfanylpyrazino[1,2-a]indole-1,4-dione
- 10a-mercapto-2,10,10-trimethyl-3-methylene-2,3,10,10a-tetrahydro-pyrazino[1,2-a]indole-1,4-dione
- AC1L6W0A
- NSC293876
- DTXSID10315293
- NSC-293876
- 59888-47-0
-
- Inchi： 1S/C15H16N2O2S/c1-9-12(18)17-11-8-6-5-7-10(11)14(2,3)15(17,20)13(19)16(9)4/h5-8,20H,1H2,2-4H3
- InChI Key： JALVYQJDUCJTQG-UHFFFAOYSA-N
- SMILES： SC12C(N(C)C(=C)C(N1C1C=CC=CC=1C2(C)C)=O)=O
Computed Properties
- Exact Mass: 288.09338
- Monoisotopic Mass: 288.09324893g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 20
- Rotatable Bond Count: 0
- Complexity: 516
- 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: 2.4
- Topological Polar Surface Area: 41.6?2
Experimental Properties
- PSA: 40.62
- LogP: 1.92550
2,10,10-trimethyl-3-methylidene-10a-sulfanylpyrazino[1,2-a]indole-1,4-dione 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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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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