Cas no 199863-95-1 (Pyrimidine, 4-chloro-6-(1-methylethyl)-2-(methylthio)-)
199863-95-1 structure
Product Name:Pyrimidine, 4-chloro-6-(1-methylethyl)-2-(methylthio)-
CAS No:199863-95-1
MF:C8H11ClN2S
MW:202.704339265823
CID:3880168
PubChem ID:21846294
Update Time:2025-04-22
Pyrimidine, 4-chloro-6-(1-methylethyl)-2-(methylthio)- Chemical and Physical Properties
Names and Identifiers
-
- Pyrimidine, 4-chloro-6-(1-methylethyl)-2-(methylthio)-
- 4-chloro-6-isopropyl-2-(methylthio)pyrimidine
- SCHEMBL5746195
- 199863-95-1
- DA-43339
-
- Inchi： 1S/C8H11ClN2S/c1-5(2)6-4-7(9)11-8(10-6)12-3/h4-5H,1-3H3
- InChI Key： ICLCYJSVXCHCAR-UHFFFAOYSA-N
- SMILES： C1(SC)=NC(C(C)C)=CC(Cl)=N1
Computed Properties
- Exact Mass: 202.0331472Da
- Monoisotopic Mass: 202.0331472Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- 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: 3.2
- Topological Polar Surface Area: 51.1?2
Pyrimidine, 4-chloro-6-(1-methylethyl)-2-(methylthio)- Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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3. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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