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

Name
5-(METHYLTHIO)-6-AZAURACIL
EINECS
CAS No. 31697-20-8
Article Data4
CAS DataBase
Density 1.75 g/cm³
Solubility
Melting Point
Formula C₄H₅N₃O₂S
Boiling Point
Molecular Weight 159.169
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms as-Triazine-3,5(2H,4H)-dione,6-(methylthio)- (8CI);as-Triazine-3,5-diol, 6-(methylthio)- (7CI);5-(Methylthio)-6-azauracil;6-(Methylthio)-1,2,4-triazine-3,5-(2H,4H)-dione;6-(Methylthio)-as-triazine-3,5(2H,4H)-dione;NSC 118348;
PSA 103.91000
LogP -0.81990

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

This chemical is called 1,2,4-Triazine-3,5(2H,4H)-dione,6-(methylthio)-, and its systematic name is 6-(methylsulfanyl)-1,2,4-triazine-3,5(2H,4H)-dione. With the molecular formula of C₄H₅N₃O₂S, its molecular weight is 159.17. The CAS registry number of this chemical is 31697-20-8.

Other characteristics of the 1,2,4-Triazine-3,5(2H,4H)-dione,6-(methylthio)- can be summarised as followings: (1)ACD/LogP: -1.03; (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): 5.26; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 78.28 Å²; (11)Index of Refraction: 1.75; (12)Molar Refractivity: 36.91 cm³; (13)Molar Volume: 90.5 cm³; (14)Polarizability: 14.63×10^-24cm³; (15)Surface Tension: 74.9 dyne/cm; (16)Density: 1.75 g/cm³.

You can still convert the following datas into molecular structure:
1.SMILES: O=C1C(\SC)=N/NC(=O)N1
2.InChI: InChI=1/C4H5N3O2S/c1-10-3-2(8)5-4(9)7-6-3/h1H3,(H2,5,7,8,9)
3.InChIKey: CFJBQECTMGMNGA-UHFFFAOYAA

Product Name

5-(METHYLTHIO)-6-AZAURACIL

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

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