Cas no 31170-22-6 (4(3H)-Pyrimidinone,2-(2-propen-1-ylthio)-)
31170-22-6 structure
Product Name:4(3H)-Pyrimidinone,2-(2-propen-1-ylthio)-
CAS No:31170-22-6
MF:C7H8N2OS
MW:168.216219902039
CID:317731
PubChem ID:295848
Update Time:2025-04-19
4(3H)-Pyrimidinone,2-(2-propen-1-ylthio)- Chemical and Physical Properties
Names and Identifiers
-
- 4(3H)-Pyrimidinone,2-(2-propen-1-ylthio)-
- 2-prop-2-enylsulfanyl-1H-pyrimidin-6-one
- 2-(allylsulfanyl)-4(3H)-pyrimidinone
- 2-allylsulfanyl-3H-pyrimidin-4-one
- 2-allylthio-4(3H)-pyrimidinone
- 2-allylthio-4(3H)-pyrimidone
- 2-Allylthio-4-pyrimidon
- 2-Allylthiouracil
- AC1L6P27
- AC1Q795E
- AI-204
- NSC165462
- SureCN1110848
- SureCN1110850
- SureCN8194267
- HMS2530B20
- CHEMBL1718671
- DTXSID20304335
- 2-ALLYLSULFANYL-PYRIMIDIN-4-OL
- 31170-22-6
- AKOS024343297
- SCHEMBL1110848
- NSC-165462
- SCHEMBL8194267
- MLS000705060
- AI-204/31716046
- SMR000230982
- 2-allylthiopyrimidin-4(3h)-one
-
- Inchi： 1S/C7H8N2OS/c1-2-5-11-7-8-4-3-6(10)9-7/h2-4H,1,5H2,(H,8,9,10)
- InChI Key： IXYYEODNJXCPPT-UHFFFAOYSA-N
- SMILES： S(CC=C)C1=NC=CC(N1)=O
Computed Properties
- Exact Mass: 168.03584
- Monoisotopic Mass: 168.036
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 233
- 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: 0.9
- Topological Polar Surface Area: 66.8?2
Experimental Properties
- Density: 1.22
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- Refractive Index: 1.599
- PSA: 41.46
- LogP: 1.04800
4(3H)-Pyrimidinone,2-(2-propen-1-ylthio)- Related Literature
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
-
Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
-
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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