Cas no 1062654-24-3 (4,6-Dichloro-N-methyl-2-(methylthio)pyrimidine-5-carboxamide)
1062654-24-3 structure
Product Name:4,6-Dichloro-N-methyl-2-(methylthio)pyrimidine-5-carboxamide
CAS No:1062654-24-3
MF:C7H7Cl2N3OS
MW:252.120977640152
CID:5018134
Update Time:2023-08-25
4,6-Dichloro-N-methyl-2-(methylthio)pyrimidine-5-carboxamide Chemical and Physical Properties
Names and Identifiers
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- 4,6-dichloro-N-methyl-2-(methylthio)pyrimidine-5-carboxamide
- 4,6-Dichloro-N-methyl-2-(methylthio)pyrimidine-5-carboxamide
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- Inchi： 1S/C7H7Cl2N3OS/c1-10-6(13)3-4(8)11-7(14-2)12-5(3)9/h1-2H3,(H,10,13)
- InChI Key： AHFBPWHTVCSJRP-UHFFFAOYSA-N
- SMILES： ClC1C(=C(N=C(N=1)SC)Cl)C(NC)=O
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 207
- XLogP3: 2.2
- Topological Polar Surface Area: 80.2
4,6-Dichloro-N-methyl-2-(methylthio)pyrimidine-5-carboxamide Related Literature
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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