Cas no 98027-08-8 (4-Pyrimidinethiol, 6-chloro- (6CI))
98027-08-8 structure
Product Name:4-Pyrimidinethiol, 6-chloro- (6CI)
CAS No:98027-08-8
MF:C4H3ClN2S
MW:146.598017930984
CID:1002343
Update Time:2024-02-06
4-Pyrimidinethiol, 6-chloro- (6CI) Chemical and Physical Properties
Names and Identifiers
-
- 4-Pyrimidinethiol, 6-chloro- (6CI)
- 6-chloro-1H-pyrimidine-4-thione
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- Inchi： 1S/C4H3ClN2S/c5-3-1-4(8)7-2-6-3/h1-2H,(H,6,7,8)
- InChI Key： JGECHNPBIXXQEQ-UHFFFAOYSA-N
- SMILES： C1N=C(Cl)C=C(S)N=1
Computed Properties
- Exact Mass: 145.971
- Monoisotopic Mass: 145.971
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 8
- Rotatable Bond Count: 0
- Complexity: 173
- 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: 56.5A^2
4-Pyrimidinethiol, 6-chloro- (6CI) Related Literature
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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