Cas no 300574-56-5 (4(1H)-Pyrimidinone,2,3-dihydro-5-(3-hydroxypropyl)-6-methyl-2-thioxo-)
300574-56-5 structure
Product Name:4(1H)-Pyrimidinone,2,3-dihydro-5-(3-hydroxypropyl)-6-methyl-2-thioxo-
CAS No:300574-56-5
MF:C8H12N2O2S
MW:200.258080482483
CID:316908
PubChem ID:1818158
Update Time:2025-04-19
4(1H)-Pyrimidinone,2,3-dihydro-5-(3-hydroxypropyl)-6-methyl-2-thioxo- Chemical and Physical Properties
Names and Identifiers
-
- 4(1H)-Pyrimidinone,2,3-dihydro-5-(3-hydroxypropyl)-6-methyl-2-thioxo-
- 5-(3-hydroxypropyl)-6-methyl-2-sulfanylidene-1H-pyrimidin-4-one
- SR-01000450698-1
- AKOS000601778
- Oprea1_098214
- MLS000704356
- 5-(3-hydroxypropyl)-6-methyl-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone
- 5-(3-hydroxypropyl)-6-methyl-2-thioxo-1H-pyrimidin-4-one
- CHEMBL1300252
- cid_1818158
- 5-(3-hydroxypropyl)-6-methyl-2-sulfanyl-4(3H)-pyrimidinone
- SMR000231554
- 300574-56-5
- Z56757862
- AN-604/15080001
- SR-01000450698
- BDBM73606
- ST038247
- DTXSID90365296
- 6-methyl-5-(3-oxidanylpropyl)-2-sulfanylidene-1H-pyrimidin-4-one
-
- Inchi： 1S/C8H12N2O2S/c1-5-6(3-2-4-11)7(12)10-8(13)9-5/h11H,2-4H2,1H3,(H2,9,10,12,13)
- InChI Key： RDCFKNCREFIGFK-UHFFFAOYSA-N
- SMILES： S=C1NC(C(=C(C)N1)CCCO)=O
Computed Properties
- Exact Mass: 200.06206
- Monoisotopic Mass: 200.062
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 273
- 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: 93.4?2
Experimental Properties
- Density: 1.32
- Boiling Point: 388.7°Cat760mmHg
- Flash Point: 188.9°C
- Refractive Index: 1.613
- PSA: 61.36
4(1H)-Pyrimidinone,2,3-dihydro-5-(3-hydroxypropyl)-6-methyl-2-thioxo- Related Literature
-
Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
-
Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
-
Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
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