Name: ethyl 5-hydroxy-3-Mercapto-1,2,4-triazine-6-carboxylate
SKU: 51101-09-8

Products Categories

Organic Chemicals (7)
Pharmaceutical (6)
Others (1)

Basic Information

Molecular Structure:
CAS No.:	51101-09-8
Name:	ethyl 5-hydroxy-3-Mercapto-1,2,4-triazine-6-carboxylate
Article Data:	5

Formula:	C₆H₇N₃O₃S
Molecular Weight:	201.206
Synonyms:	1,2,4-Triazine-6-carboxylic acid, 2,3,4,5-tetrahydro-5-oxo-3-thioxo-, ethyl ester;
Density:	1.627 g/cm³
Boiling Point:	279.8 °C at 760 mmHg
Flash Point:	123 °C
PSA:	119.93000
LogP:	0.00420

Country:
- China (Mainland)(12)
Business Type:
All

Lab/Research institutions

Trading Company

Manufacturers

Other
Certificate:
Manufacturer

Enterprise Authentication

ISO

GMP

FDA

HALAL

Display:default sort
Suppiers of more reward points first

New supplier

Total:12 Page 1 of 1 1

Post a RFQ

Cas No.:

Product Name:

Quantity:

Email:

Company name:

Valid Period:

Detailed Requirements:

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

What can I do for you?
Get Best Price

Get Best Price for 51101-09-8

Specification

Ethyl 5-oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylate is an organic compound with the formula C₆H₇N₃O₃S, and its systematic name is the same with the product name. With the CAS registry number 51101-09-8, it is also named as 1,2,4-Triazine-6-carboxylic acid, 2,3,4,5-tetrahydro-5-oxo-3-thioxo-, ethyl ester. In addition, the molecular weight is 201.20.

Physical properties of Ethyl 5-oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylate are: (1)ACD/LogP: 0.374; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.10; (4)ACD/LogD (pH 7.4): -1.42; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 12.78; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 111.88 Å²; (13)Index of Refraction: 1.686; (14)Molar Refractivity: 47.04 cm³; (15)Molar Volume: 123.653 cm³; (16)Polarizability: 18.648×10^-24cm³; (17)Surface Tension: 58.7 dyne/cm; (18)Density: 1.627 g/cm³; (19)Flash Point: 123 °C; (20)Enthalpy of Vaporization: 51.85 kJ/mol; (21)Boiling Point: 279.8 °C at 760 mmHg; (22)Vapour Pressure: 0.00393 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1C(=N/NC(=S)N1)\C(=O)OCC
(2)Std. InChI: InChI=1S/C6H7N3O3S/c1-2-12-5(11)3-4(10)7-6(13)9-8-3/h2H2,1H3,(H2,7,9,10,13)
(3)Std. InChIKey: CVUZWTLCUJJDHG-UHFFFAOYSA-N