Cas no 30894-83-8 (1,3,5-Triazine,2-chloro-4,6-bis(ethylthio)-)
30894-83-8 structure
Product Name:1,3,5-Triazine,2-chloro-4,6-bis(ethylthio)-
CAS No:30894-83-8
MF:C7H10ClN3S2
MW:235.757397174835
CID:320781
PubChem ID:35657
Update Time:2025-04-19
1,3,5-Triazine,2-chloro-4,6-bis(ethylthio)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3,5-Triazine,2-chloro-4,6-bis(ethylthio)-
- 2-CHLORO-4,6-BIS(ETHYLTHIO)-S-TRIAZINE
- 2-chloro-4,6-bis(ethylsulfanyl)-1,3,5-triazine
- DTXSID10275363
- 30894-83-8
- SCHEMBL17563557
-
- Inchi： 1S/C7H10ClN3S2/c1-3-12-6-9-5(8)10-7(11-6)13-4-2/h3-4H2,1-2H3
- InChI Key： JOYKUBUBHHVKIX-UHFFFAOYSA-N
- SMILES： ClC1=NC(=NC(=N1)SCC)SCC
Computed Properties
- Exact Mass: 235.0007
- Monoisotopic Mass: 235
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 136
- 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
- Topological Polar Surface Area: 89.3A^2
- XLogP3: 3.4
Experimental Properties
- Density: 1.36
- Boiling Point: 423.7°Cat760mmHg
- Flash Point: 210°C
- Refractive Index: 1.602
- PSA: 38.67
1,3,5-Triazine,2-chloro-4,6-bis(ethylthio)- Related Literature
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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