Cas no 103427-62-9 (1,3,5-Triazine-2,4-diamine,6-[(difluoromethyl)thio]-N2-(1,2-dimethylpropyl)-N4-ethyl-)
103427-62-9 structure
Product Name:1,3,5-Triazine-2,4-diamine,6-[(difluoromethyl)thio]-N2-(1,2-dimethylpropyl)-N4-ethyl-
CAS No:103427-62-9
MF:C11H19F2N5S
MW:291.363867044449
CID:222198
PubChem ID:190515
Update Time:2025-04-19
1,3,5-Triazine-2,4-diamine,6-[(difluoromethyl)thio]-N2-(1,2-dimethylpropyl)-N4-ethyl- Chemical and Physical Properties
Names and Identifiers
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- 1,3,5-Triazine-2,4-diamine,6-[(difluoromethyl)thio]-N2-(1,2-dimethylpropyl)-N4-ethyl-
- 1,3,5-Triazine-2,4-diamine, 6-((difluoromethyl)thio)-N-(1,2-dimethylpropyl)-N'-ethyl-
- DTXSID50908385
- 103427-62-9
- 6-[(Difluoromethyl)sulfanyl]-N~4~-ethyl-N~2~-(3-methylbutan-2-yl)-1,3,5-triazine-2,4(1H,3H)-diimine
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- Inchi: 1S/C11H19F2N5S/c1-5-14-9-16-10(15-7(4)6(2)3)18-11(17-9)19-8(12)13/h6-8H,5H2,1-4H3,(H2,14,15,16,17,18)
- InChI Key: SIKFSQBQGVBKMG-UHFFFAOYSA-N
- SMILES: S(C(F)F)C1N=C(NCC)N=C(N=1)NC(C)C(C)C
Computed Properties
- Exact Mass: 291.13317
- Monoisotopic Mass: 291.13292312g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 19
- Rotatable Bond Count: 7
- Complexity: 257
- 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: 4.7
- Topological Polar Surface Area: 88?2
Experimental Properties
- PSA: 62.73
1,3,5-Triazine-2,4-diamine,6-[(difluoromethyl)thio]-N2-(1,2-dimethylpropyl)-N4-ethyl- Related Literature
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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