Cas no 54774-97-9 (4(1H)-Pyrimidinone, 2-(butylthio)-)
54774-97-9 structure
Product Name:4(1H)-Pyrimidinone, 2-(butylthio)-
CAS No:54774-97-9
MF:C8H12N2OS
MW:184.258680343628
CID:353701
PubChem ID:534218
Update Time:2025-04-19
4(1H)-Pyrimidinone, 2-(butylthio)- Chemical and Physical Properties
Names and Identifiers
-
- 4(1H)-Pyrimidinone, 2-(butylthio)-
- 2-(Butylthio)pyrimidin-4(1H)-one
- 2-butylsulfanyl-1H-pyrimidin-6-one
- 2-butylsulfanyl-3H-pyrimidin-4-one
- AKOS001655936
- 54774-97-9
- SR-01000471151-1
- EU-0042429
- SCHEMBL5094216
- DTXSID80336511
- CHEMBL1669065
- SR-01000471151
- butylthiopyrimidin-4(3 h)-one
- 2-(butylsulfanyl)-4(3h)-pyrimidinone
- 2-(Butylsulfanyl)-4-pyrimidinol #
-
- Inchi： 1S/C8H12N2OS/c1-2-3-6-12-8-9-5-4-7(11)10-8/h4-5H,2-3,6H2,1H3,(H,9,10,11)
- InChI Key： FCXIAZMHGVYTNT-UHFFFAOYSA-N
- SMILES： S(C1=NC=CC(N1)=O)CCCC
Computed Properties
- Exact Mass: 184.06716
- Monoisotopic Mass: 184.06703418g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 223
- 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: 1.5
- Topological Polar Surface Area: 66.8?2
Experimental Properties
- PSA: 41.46
4(1H)-Pyrimidinone, 2-(butylthio)- Related Literature
-
Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
54774-97-9 (4(1H)-Pyrimidinone, 2-(butylthio)-) Related Products
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
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- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
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