Cas no 6935-11-1 (4(3H)-Pyrimidinone,5-amino-2-(ethylthio)-)
6935-11-1 structure
Product Name:4(3H)-Pyrimidinone,5-amino-2-(ethylthio)-
CAS No:6935-11-1
MF:C6H9N3OS
MW:171.220159292221
CID:524003
PubChem ID:245930
Update Time:2025-04-19
4(3H)-Pyrimidinone,5-amino-2-(ethylthio)- Chemical and Physical Properties
Names and Identifiers
-
- 4(3H)-Pyrimidinone,5-amino-2-(ethylthio)-
- NSC58350
- AKOS024344542
- 5-amino-2-(ethylsulfanyl)pyrimidin-4(3h)-one
- 6935-11-1
- DTXSID70288979
- SCHEMBL10999109
- NSC-58350
-
- Inchi： 1S/C6H9N3OS/c1-2-11-6-8-3-4(7)5(10)9-6/h3H,2,7H2,1H3,(H,8,9,10)
- InChI Key： QDJFYPJDXCWGLG-UHFFFAOYSA-N
- SMILES： S(CC)C1=NC=C(C(N1)=O)N
Computed Properties
- Exact Mass: 171.04677
- Monoisotopic Mass: 171.047
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 234
- 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: 0.1
- Topological Polar Surface Area: 92.8?2
Experimental Properties
- Density: 1.45
- Boiling Point: 354.2°Cat760mmHg
- Flash Point: 168°C
- Refractive Index: 1.673
- PSA: 67.48
4(3H)-Pyrimidinone,5-amino-2-(ethylthio)- Related Literature
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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