1,2,4-Triazine-3,5(2H,4H)-dione,6-(2-propen-1-ylthio)- supplier

Name
5-ALLYLMERCAPTO-6-AZAURACIL
EINECS
CAS No. 10237-48-6
Density 1.5 g/cm³
Solubility
Melting Point
Formula C₆H₇N₃O₂S
Boiling Point 176°C at 760 mmHg
Molecular Weight 185.206
Flash Point 176°C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,2,4-Triazine-3,5(2H,4H)-dione,6-(2-propenylthio)- (9CI);as-Triazine-3,5(2H,4H)-dione, 6-(allylthio)-(7CI,8CI);NSC 107688;5-Allylmercapto-6-azauracil;
PSA 103.91000
LogP -0.26370

1,2,4-Triazine-3,5(2H,4H)-dione,6-(2-propen-1-ylthio)- Specification

The 1, 2, 4-Triazine-3, 5(2H, 4H)-dione, 6-(2-propen-1-ylthio)-, with the CAS registry number 10237-48-6, is also known as 5-Allylmercapto-6-azauracil. This chemical's molecular formula is C₆H₇N₃O₂S and molecular weight is 185.2. What's more, its IUPAC name is 6-Prop-2-enylsulfanyl-6H-1, 2, 4-triazine-3, 5-dione. This chemical's classification code is Drug / Therapeutic Agent.

Physical properties about 1, 2, 4-Triazine-3, 5(2H, 4H)-dione, 6-(2-propen-1-ylthio)- are: (1)ACD/LogP: -0.20; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 15.5; (6)ACD/KOC (pH 7.4): 1.3; (7)#H bond acceptors: 5; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 78.28 Å²; (11)Index of Refraction: 1.674; (12)Molar Refractivity: 46.13 cm³; (13)Molar Volume: 122.9 cm³; (14)Polarizability: 18.28 ×10^-24cm³; (15)Surface Tension: 61.1 dyne/cm; (16)Density: 1.5 g/cm³.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C1C(\SC\C=C)=N/NC(=O)N1
(2) InChI: InChI=1/C6H7N3O2S/c1-2-3-12-5-4(10)7-6(11)9-8-5/h2H,1,3H2,(H2,7,9,10,11)
(3) InChIKey: GQRGHKDRHYUZMY-UHFFFAOYAN

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	subcutaneous	884mg/kg (884mg/kg)		Biochemical Pharmacology. Vol. 15, Pg. 408, 1966.

Product Name

5-ALLYLMERCAPTO-6-AZAURACIL

1,2,4-Triazine-3,5(2H,4H)-dione,6-(2-propen-1-ylthio)- Specification

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