Cas no 6203-92-5 ( )
structure
Product Name:
CAS No:6203-92-5
MF:C8H10N2OS
MW:182.242800235748
CID:956050
PubChem ID:295921
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
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- 2-methylsulfanyl-4-prop-2-enoxypyrimidine
- NSC165551
- NSC-165551
- DTXSID40304377
- 2-(Methylsulfanyl)-4-[(prop-2-en-1-yl)oxy]pyrimidine
- 6203-92-5
-
-
- Inchi： 1S/C8H10N2OS/c1-3-6-11-7-4-5-9-8(10-7)12-2/h3-5H,1,6H2,2H3
- InChI Key： DOLYOIYLBZSLCD-UHFFFAOYSA-N
- SMILES： S(C)C1=NC=CC(=N1)OCC=C
Computed Properties
- Exact Mass: 182.0515
- Monoisotopic Mass: 182.051
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 143
- 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
- Topological Polar Surface Area: 60.3?2
Experimental Properties
- Density: 1.16
- Boiling Point: 303.1°C at 760 mmHg
- Flash Point: 137.1°C
- Refractive Index: 1.555
- PSA: 35.01
- LogP: 1.76330
Related Literature
-
Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
-
Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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