Cas no 830330-27-3 (4(1H)-Pyrimidinone, 6-amino-5-(ethylideneamino)-2-(methylthio)-)
830330-27-3 structure
Product Name:4(1H)-Pyrimidinone, 6-amino-5-(ethylideneamino)-2-(methylthio)-
CAS No:830330-27-3
MF:C7H10N4OS
MW:198.245499134064
CID:679230
PubChem ID:136235090
Update Time:2025-04-19
4(1H)-Pyrimidinone, 6-amino-5-(ethylideneamino)-2-(methylthio)- Chemical and Physical Properties
Names and Identifiers
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- 4(1H)-Pyrimidinone, 6-amino-5-(ethylideneamino)-2-(methylthio)-
- 6-amino-5-(ethylideneamino)-2-methylsulfanyl-1H-pyrimidin-4-one
- 830330-27-3
- DTXSID20835896
- 6-Amino-5-(ethylideneamino)-2-(methylthio)pyrimidin-4(1H)-one
- 6-Amino-5-[(E)-ethylideneamino]-2-(methylsulfanyl)pyrimidin-4(1H)-one
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- Inchi： 1S/C7H10N4OS/c1-3-9-4-5(8)10-7(13-2)11-6(4)12/h3H,1-2H3,(H3,8,10,11,12)/b9-3+
- InChI Key： NUYCOCGLALERQN-YCRREMRBSA-N
- SMILES： S(C)C1=NC(=C(C(N1)=O)/N=C/C)N
Computed Properties
- Exact Mass: 198.05753213g/mol
- Monoisotopic Mass: 198.05753213g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 319
- 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: -0.4
- Topological Polar Surface Area: 105?2
4(1H)-Pyrimidinone, 6-amino-5-(ethylideneamino)-2-(methylthio)- Related Literature
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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