Cas no 280582-33-4 (4-anilino-5-cyano-2-(methylthio)pyrimidine)
280582-33-4 structure
Product Name:4-anilino-5-cyano-2-(methylthio)pyrimidine
CAS No:280582-33-4
MF:C12H10N4S
MW:242.299600124359
CID:2143543
PubChem ID:18768038
Update Time:2025-04-21
4-anilino-5-cyano-2-(methylthio)pyrimidine Chemical and Physical Properties
Names and Identifiers
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- 4-anilino-5-cyano-2-(methylthio)pyrimidine
- DB-332097
- SCHEMBL5257876
- 280582-33-4
-
- Inchi： 1S/C12H10N4S/c1-17-12-14-8-9(7-13)11(16-12)15-10-5-3-2-4-6-10/h2-6,8H,1H3,(H,14,15,16)
- InChI Key： BOWGVWDAJPPVQQ-UHFFFAOYSA-N
- SMILES： S(C)C1=NC=C(C#N)C(=N1)NC1C=CC=CC=1
Computed Properties
- Exact Mass: 242.06261751Da
- Monoisotopic Mass: 242.06261751Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 281
- 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: 86.9?2
4-anilino-5-cyano-2-(methylthio)pyrimidine Related Literature
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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