Cas no 86351-35-1 ( )
structure
Product Name:
CAS No:86351-35-1
MF:C7H8N2OS
MW:168.216219902039
CID:991547
PubChem ID:4019746
Update Time:2025-04-20
Chemical and Physical Properties
Names and Identifiers
-
- 5-prop-2-enyl-2-sulfanylidene-1H-pyrimidin-4-one
- NCIOpen2_002129
- NSC-99443
- NSC99443
- 86351-35-1
- SCHEMBL11735379
- 5-allylthiouracil
- DTXSID70398582
- 2,3-Dihydro-5-(2-propen-1-yl)-2-thioxo-4(1h)-pyrimidinone
- DB-202449
-
-
- Inchi： 1S/C7H8N2OS/c1-2-3-5-4-8-7(11)9-6(5)10/h2,4H,1,3H2,(H2,8,9,10,11)
- InChI Key： AABSUBJWMMNFQZ-UHFFFAOYSA-N
- SMILES： S=C1NC=C(C(N1)=O)CC=C
Computed Properties
- Exact Mass: 168.03573406g/mol
- Monoisotopic Mass: 168.03573406g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 245
- 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: 0.7
- Topological Polar Surface Area: 73.2?2
Related Literature
-
Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
-
Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
-
Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
-
J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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