Pyrrolo[2,1-f][1,2,4]triazine,5-methyl-4-(methylthio)- supplier

Name
5-methyl-4-(methylthio)pyrrolo[1,2-f][1,2,4]triazine
EINECS
CAS No. 859205-88-2
Article Data4
CAS DataBase
Density 1.3 g/cm³
Solubility
Melting Point
Formula C₈H₉N₃S
Boiling Point
Molecular Weight 179.246
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-Methyl-4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine;5-Methyl-4-(methylthio)pyrrolo[1,2-f][1,2,4]triazine;MFCD11519388;
PSA 55.49000
LogP 1.75960

Pyrrolo[2,1-f][1,2,4]triazine,5-methyl-4-(methylthio)- Specification

The Pyrrolo[2,1-f][1,2,4]triazine,5-methyl-4-(methylthio)- with CAS registry number of 859205-88-2 is also known as 5-Methyl-4-(methylthio)pyrrolo[1,2-f][1,2,4]triazine. The systematic name is 5-Methyl-4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine. It belongs to product categories of Chiral Chemicals. In addition, the formula is C₈H₉N₃S and the molecular weight is 179.24.

Physical properties about Pyrrolo[2,1-f][1,2,4]triazine,5-methyl-4-(methylthio)- are: (1)ACD/LogP: 1.29; (2)ACD/LogD (pH 5.5): 1.29; (3)ACD/LogD (pH 7.4): 1.29; (4)ACD/BCF (pH 5.5): 5.61; (5)ACD/BCF (pH 7.4): 5.61; (6)ACD/KOC (pH 5.5): 119.61; (7)ACD/KOC (pH 7.4): 119.61; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.679; (11)Molar Refractivity: 51.81 cm³; (12)Molar Volume: 137.2 cm³; (13)Surface Tension: 48.2 dyne/cm; (14)Density: 1.3 g/cm³.

You can still convert the following datas into molecular structure:
1. SMILES: CSc1ncnn2ccc(C)c12
2. InChI: InChI=1/C8H9N3S/c1-6-3-4-11-7(6)8(12-2)9-5-10-11/h3-5H,1-2H3
3. InChIKey: QYEJRILORDMTIT-UHFFFAOYAE
4. Std. InChI: InChI=1S/C8H9N3S/c1-6-3-4-11-7(6)8(12-2)9-5-10-11/h3-5H,1-2H3
5. Std. InChIKey: QYEJRILORDMTIT-UHFFFAOYSA-N

Product Name

5-methyl-4-(methylthio)pyrrolo[1,2-f][1,2,4]triazine

Pyrrolo[2,1-f][1,2,4]triazine,5-methyl-4-(methylthio)- Specification

Related Products

Hot Products