Cas no 30360-90-8 (Acetonitrile,2-[[4-(ethylamino)-6-[(1-methylethyl)amino]-1,3,5-triazin-2-yl]thio]-)
![Acetonitrile,2-[[4-(ethylamino)-6-[(1-methylethyl)amino]-1,3,5-triazin-2-yl]thio]- structure](https://ossimg.kuujia.com/scimg/30500/30360-90-8x500.png)
30360-90-8 structure
Product Name:Acetonitrile,2-[[4-(ethylamino)-6-[(1-methylethyl)amino]-1,3,5-triazin-2-yl]thio]-
CAS No:30360-90-8
MF:C10H16N6S
MW:252.339239120483
CID:313698
PubChem ID:35133
Update Time:2025-04-19
Acetonitrile,2-[[4-(ethylamino)-6-[(1-methylethyl)amino]-1,3,5-triazin-2-yl]thio]- Chemical and Physical Properties
Names and Identifiers
-
- Acetonitrile,2-[[4-(ethylamino)-6-[(1-methylethyl)amino]-1,3,5-triazin-2-yl]thio]-
- 2-[[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]acetonitrile
- DTXSID00275216
- 30360-90-8
-
- Inchi： 1S/C10H16N6S/c1-4-12-8-14-9(13-7(2)3)16-10(15-8)17-6-5-11/h7H,4,6H2,1-3H3,(H2,12,13,14,15,16)
- InChI Key： ZKJXEMNETFTANR-UHFFFAOYSA-N
- SMILES： S(CC#N)C1N=C(N=C(N=1)NC(C)C)NCC
Computed Properties
- Exact Mass: 252.11598
- Monoisotopic Mass: 252.11571571g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 17
- Rotatable Bond Count: 6
- Complexity: 263
- 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: 2.8
- Topological Polar Surface Area: 112?2
Experimental Properties
- PSA: 86.52
Acetonitrile,2-[[4-(ethylamino)-6-[(1-methylethyl)amino]-1,3,5-triazin-2-yl]thio]- Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
30360-90-8 (Acetonitrile,2-[[4-(ethylamino)-6-[(1-methylethyl)amino]-1,3,5-triazin-2-yl]thio]-) Related Products
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