4(1H)-Pyrimidinone,2,3-dihydro-5-propyl-2-thioxo- supplier

Name
5-PROPYL-2-THIOURACIL
EINECS
CAS No. 2954-52-1
Article Data6
CAS DataBase
Density 1.24 g/cm³
Solubility
Melting Point 161-163 °C
Formula C₇H₁₀N₂OS
Boiling Point
Molecular Weight 170.235
Flash Point
Transport Information
Appearance White to yellow cast powder
Safety 22-36
Risk Codes 40
Molecular Structure
Hazard Symbols Xn
Synonyms Uracil,5-propyl-2-thio- (7CI,8CI);2-Thio-5-propyluracil;5-Propyl-2-thiouracil;5-propyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one;4(1H)-pyrimidinone, 2,3-dihydro-5-propyl-2-thioxo-;5-(n-Propyl)-2-thiouracil;5-Propyl-2-thiouracil;5-propyl-2-sulfanylidene-1H-pyrimidin-4-one;
PSA 80.74000
LogP 1.38500

4(1H)-Pyrimidinone,2,3-dihydro-5-propyl-2-thioxo- Specification

The 4(1H)-Pyrimidinone,2,3-dihydro-5-propyl-2-thioxo-, with the CAS registry number 2954-52-1, has the systematic name of 5-propyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one. It belongs to the following product categories: Biochemicals and Reagents; Nucleoside Analogs; Nucleosides, Nucleotides, Oligonucleotides. And the molecular formula of the chemical is C₇H₁₀N₂OS.

The characteristics of 4(1H)-Pyrimidinone,2,3-dihydro-5-propyl-2-thioxo- are as followings: (1)ACD/LogP: 1.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.37; (4)ACD/LogD (pH 7.4): 1.3; (5)ACD/BCF (pH 5.5): 6.49; (6)ACD/BCF (pH 7.4): 5.51; (7)ACD/KOC (pH 5.5): 132.71; (8)ACD/KOC (pH 7.4): 112.62; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 55.64 Å²; (13)Index of Refraction: 1.596; (14)Molar Refractivity: 46.62 cm³; (15)Molar Volume: 137 cm³; (16)Polarizability: 18.48×10^-24cm³; (17)Surface Tension: 54.9 dyne/cm; (18)Density: 1.24 g/cm³.

Uses of 4(1H)-Pyrimidinone,2,3-dihydro-5-propyl-2-thioxo-: It can react with iodomethane to produce 2-methylsulfanyl-5-propyl-3H-pyrimidin-4-one. This reaction will need reagent tetra-n-KOH, and the menstruum methanol. The reaction time is 10 minutes with ambient temperature, and the yield is about 80%.

You should be cautious while dealing with this chemical. There's limited evidence of a carcinogenic effect. Therefore, you had better take the following instructions: Do not breathe dust, and wear suitable protective clothing.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C1\C(=C/NC(=S)N1)CCC
(2)InChI: InChI=1/C7H10N2OS/c1-2-3-5-4-8-7(11)9-6(5)10/h4H,2-3H2,1H3,(H2,8,9,10,11)
(3)InChIKey: RWJRFPUNLXBCML-UHFFFAOYAJ

Product Name

5-PROPYL-2-THIOURACIL

4(1H)-Pyrimidinone,2,3-dihydro-5-propyl-2-thioxo- Specification

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