Cas no 89598-68-5 (4(1H)-Pyrimidinone,6-amino-2,3-dihydro-5-(2-hydroxyethyl)-2-thioxo-)
89598-68-5 structure
Product Name:4(1H)-Pyrimidinone,6-amino-2,3-dihydro-5-(2-hydroxyethyl)-2-thioxo-
CAS No:89598-68-5
MF:C6H9N3O2S
MW:187.219559431076
CID:733975
PubChem ID:4551610
Update Time:2025-04-19
4(1H)-Pyrimidinone,6-amino-2,3-dihydro-5-(2-hydroxyethyl)-2-thioxo- Chemical and Physical Properties
Names and Identifiers
-
- 4(1H)-Pyrimidinone,6-amino-2,3-dihydro-5-(2-hydroxyethyl)-2-thioxo-
- 6-amino-5-(2-hydroxyethyl)-2-sulfanylidene-1H-pyrimidin-4-one
- NSC528415
- DTXSID30404173
- SCHEMBL6641815
- 89598-68-5
- NSC-528415
-
- Inchi： 1S/C6H9N3O2S/c7-4-3(1-2-10)5(11)9-6(12)8-4/h10H,1-2H2,(H4,7,8,9,11,12)
- InChI Key： LNWWEZYOWLBVIE-UHFFFAOYSA-N
- SMILES： S=C1NC(C(=C(N)N1)CCO)=O
Computed Properties
- Exact Mass: 187.042
- Monoisotopic Mass: 187.042
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 262
- 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: 120A^2
- XLogP3: -1.3
Experimental Properties
- Density: 1.53
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- Refractive Index: 1.696
- PSA: 126.99000
- LogP: 0.13070
4(1H)-Pyrimidinone,6-amino-2,3-dihydro-5-(2-hydroxyethyl)-2-thioxo- Related Literature
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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2. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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