Cas no 55749-27-4 ( )
structure
Product Name:
CAS No:55749-27-4
MF:C10H16N2S
MW:196.312440872192
CID:944444
PubChem ID:236288
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 2-butylsulfanyl-4,6-dimethylpyrimidine
- 2-butylthio-4,6-dimethylpyrimidine
- AKOS003653324
- 55749-27-4
- 2-(butylsulfanyl)-4,6-dimethylpyrimidine
- SCHEMBL425170
- DTXSID80284720
- NSC38648
- NSC-38648
-
-
- Inchi： 1S/C10H16N2S/c1-4-5-6-13-10-11-8(2)7-9(3)12-10/h7H,4-6H2,1-3H3
- InChI Key： WBFMKGRUVHRHBZ-UHFFFAOYSA-N
- SMILES： S(C1N=C(C)C=C(C)N=1)CCCC
Computed Properties
- Exact Mass: 196.10300
- Monoisotopic Mass: 196.10341969g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 131
- 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: 3.1
- Topological Polar Surface Area: 51.1?2
Experimental Properties
- PSA: 51.08000
- LogP: 2.98560
Related Literature
-
Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
-
Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
-
Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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