Cas no 88866-17-5 (1,3,5-Triazine-2,4-diamine, N-cyclopentyl-6-(methylthio)-)
88866-17-5 structure
Product Name:1,3,5-Triazine-2,4-diamine, N-cyclopentyl-6-(methylthio)-
CAS No:88866-17-5
MF:C9H15N5S
MW:225.313899278641
CID:620586
PubChem ID:13241552
Update Time:2025-04-19
1,3,5-Triazine-2,4-diamine, N-cyclopentyl-6-(methylthio)- Chemical and Physical Properties
Names and Identifiers
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- 1,3,5-Triazine-2,4-diamine, N-cyclopentyl-6-(methylthio)-
- 2-N-cyclopentyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
- DTXSID90531353
- N~2~-Cyclopentyl-6-(methylsulfanyl)-1,3,5-triazine-2,4-diamine
- 88866-17-5
- SCHEMBL10897011
- N2-Cyclopentyl-6-(methylthio)-1,3,5-triazine-2,4-diamine
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- Inchi： 1S/C9H15N5S/c1-15-9-13-7(10)12-8(14-9)11-6-4-2-3-5-6/h6H,2-5H2,1H3,(H3,10,11,12,13,14)
- InChI Key： BXSFXRPIMXZBAQ-UHFFFAOYSA-N
- SMILES： S(C)C1=NC(N)=NC(=N1)NC1CCCC1
Computed Properties
- Exact Mass: 225.10481667g/mol
- Monoisotopic Mass: 225.10481667g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 197
- 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: 2.1
- Topological Polar Surface Area: 102?2
1,3,5-Triazine-2,4-diamine, N-cyclopentyl-6-(methylthio)- Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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