Cas no 17624-79-2 (Pyrimidine, 2,2'-dithiobis[4,6-dimethyl-)
17624-79-2 structure
Product Name:Pyrimidine, 2,2'-dithiobis[4,6-dimethyl-
CAS No:17624-79-2
MF:C12H14N4S2
MW:278.396358966827
CID:96219
PubChem ID:736679
Update Time:2025-04-18
Pyrimidine, 2,2'-dithiobis[4,6-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-[(4,6-dimethylpyrimidin-2-yl)disulfanyl]-4,6-dimethylpyrimidine
- cid_736679
- BDBM60854
- CHEMBL1548507
- AKOS003212495
- 1,2-Bis(4,6-dimethylpyrimidin-2-yl)disulfane
- SCHEMBL7074739
- HMS2817L07
- DTXSID20353085
- MLS001183558
- 17624-79-2
- SMR000502009
- Pyrimidine, 2,2'-dithiobis[4,6-dimethyl-
- 2-[(4,6-dimethyl-2-pyrimidinyl)disulfanyl]-4,6-dimethylpyrimidine
- 2-[(4,6-dimethylpyrimidin-2-yl)disulfanyl]-4,6-dimethyl-pyrimidine
-
- Inchi： 1S/C12H14N4S2/c1-7-5-8(2)14-11(13-7)17-18-12-15-9(3)6-10(4)16-12/h5-6H,1-4H3
- InChI Key： LCTFBIYMAQKHDI-UHFFFAOYSA-N
- SMILES： S(C1=NC(C)=CC(C)=N1)SC1=NC(C)=CC(C)=N1
Computed Properties
- Exact Mass: 278.06622
- Monoisotopic Mass: 278.06598881g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 221
- 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: 2.9
- Topological Polar Surface Area: 102?2
Experimental Properties
- PSA: 51.56
Pyrimidine, 2,2'-dithiobis[4,6-dimethyl- Related Literature
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
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