Cas no 30360-92-0 (Thiocyanic acid,4,6-bis[(1-methylethyl)amino]-1,3,5-triazin-2-yl ester)
![Thiocyanic acid,4,6-bis[(1-methylethyl)amino]-1,3,5-triazin-2-yl ester structure](https://ossimg.kuujia.com/scimg/30500/30360-92-0x500.png)
30360-92-0 structure
Product Name:Thiocyanic acid,4,6-bis[(1-methylethyl)amino]-1,3,5-triazin-2-yl ester
CAS No:30360-92-0
MF:C10H16N6S
MW:252.339239120483
CID:314668
PubChem ID:35135
Update Time:2025-04-19
Thiocyanic acid,4,6-bis[(1-methylethyl)amino]-1,3,5-triazin-2-yl ester Chemical and Physical Properties
Names and Identifiers
-
- Thiocyanic acid,4,6-bis[(1-methylethyl)amino]-1,3,5-triazin-2-yl ester
- [4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl] thiocyanate
- DTXSID60275217
- 30360-92-0
-
- Inchi： 1S/C10H16N6S/c1-6(2)12-8-14-9(13-7(3)4)16-10(15-8)17-5-11/h6-7H,1-4H3,(H2,12,13,14,15,16)
- InChI Key： MQDHUALOAYVISZ-UHFFFAOYSA-N
- SMILES： S(C#N)C1=NC(=NC(=N1)NC(C)C)NC(C)C
Computed Properties
- Exact Mass: 252.11598
- Monoisotopic Mass: 252.116
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 17
- Rotatable Bond Count: 5
- Complexity: 255
- 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: 3.6
- Topological Polar Surface Area: 112A^2
Experimental Properties
- Density: 1.21
- Boiling Point: 428.8°Cat760mmHg
- Flash Point: 213.1°C
- Refractive Index: 1.567
- PSA: 86.52
Thiocyanic acid,4,6-bis[(1-methylethyl)amino]-1,3,5-triazin-2-yl ester Related Literature
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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