Cas no 771571-91-6 (5-Pyrimidinemethanamine,4,6-dichloro-2-(methylthio)-)
771571-91-6 structure
Product Name:5-Pyrimidinemethanamine,4,6-dichloro-2-(methylthio)-
CAS No:771571-91-6
MF:C6H7Cl2N3S
MW:224.110877275467
CID:551646
PubChem ID:53471792
Update Time:2025-04-19
5-Pyrimidinemethanamine,4,6-dichloro-2-(methylthio)- Chemical and Physical Properties
Names and Identifiers
-
- 5-Pyrimidinemethanamine,4,6-dichloro-2-(methylthio)-
- (4,6-DICHLORO-2-(METHYLTHIO)PYRIMIDIN-5-YL)
- (4,6-DICHLORO-2-(METHYLTHIO)PYRIMIDIN-5-YL)METHANAMINE
- (4,6-dichloro-2-methylsulfanylpyrimidin-5-yl)methanamine
- [4,6-DICHLORO-2-(METHYLSULFANYL)PYRIMIDIN-5-YL]METHANAMINE
- 5-Pyrimidinemethanamine,4,6-dichloro-2-(methylthio)
- RARECHEM AL BW 1807
- DTXSID90703755
- MB03732
- 1-[4,6-Dichloro-2-(methylsulfanyl)pyrimidin-5-yl]methanamine
- 771571-91-6
-
- Inchi: 1S/C6H7Cl2N3S/c1-12-6-10-4(7)3(2-9)5(8)11-6/h2,9H2,1H3
- InChI Key: ZYBSOUNRTOITPG-UHFFFAOYSA-N
- SMILES: ClC1C(=C(N=C(N=1)SC)Cl)CN
Computed Properties
- Exact Mass: 222.97400
- Monoisotopic Mass: 222.974
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 137
- 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
- Topological Polar Surface Area: 77.1A^2
- XLogP3: 1.8
Experimental Properties
- PSA: 77.10000
- LogP: 2.66430
5-Pyrimidinemethanamine,4,6-dichloro-2-(methylthio)- Related Literature
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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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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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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