Cas no 57617-88-6 (4,6-Dimethyl-2-(tribromomethanesulfonyl)pyrimidine)
57617-88-6 structure
Product Name:4,6-Dimethyl-2-(tribromomethanesulfonyl)pyrimidine
CAS No:57617-88-6
MF:C7H7Br3N2O2S
MW:422.919677972794
CID:2833024
PubChem ID:15868762
Update Time:2025-04-21
4,6-Dimethyl-2-(tribromomethanesulfonyl)pyrimidine Chemical and Physical Properties
Names and Identifiers
-
- HELULTFWRKVGAY-UHFFFAOYSA-N
- 57617-88-6
- 4,6-Dimethyl-2-(tribromomethanesulfonyl)pyrimidine
- DTXSID20578998
- SCHEMBL8472094
-
- Inchi： 1S/C7H7Br3N2O2S/c1-4-3-5(2)12-6(11-4)15(13,14)7(8,9)10/h3H,1-2H3
- InChI Key： HELULTFWRKVGAY-UHFFFAOYSA-N
- SMILES： BrC(S(C1N=C(C)C=C(C)N=1)(=O)=O)(Br)Br
Computed Properties
- Exact Mass: 421.77579Da
- Monoisotopic Mass: 419.77784Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 312
- 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
- Topological Polar Surface Area: 68.3?2
4,6-Dimethyl-2-(tribromomethanesulfonyl)pyrimidine Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
57617-88-6 (4,6-Dimethyl-2-(tribromomethanesulfonyl)pyrimidine) Related Products
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