Basic Information | Post buying leads | Suppliers |
Name |
1-Methyl-4-(2-methyl-2H-tetrazol-5-yl)-1H-pyrazole-5-sulfonamide |
EINECS | 424-160-1 |
CAS No. | 139481-22-4 | Density | 1.9 g/cm3 |
PSA | 129.96000 | LogP | 0.03910 |
Solubility | N/A | Melting Point |
N/A |
Formula | C6H9N7O2S | Boiling Point | 568.9 °C at 760 mmHg |
Molecular Weight | 243.25 | Flash Point | 297.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
T5NNNNJ B1 E- DT5NNJ A1 ESZW; |
The 1H-Pyrazole-5-sulfonamide, 1-methyl-4-(2-methyl-2H-tetrazol-5-yl)- has the CAS registry number 139481-22-4. Its EINECS number is 424-160-1. This chemical's molecular formula is C6H9N7O2S and molecular weight is 243.25. What's more, its systematic name is 1-methyl-4-(2-methyl-2H-tetrazol-5-yl)-1H-pyrazole-5-sulfonamide.
Physical properties of 1H-Pyrazole-5-sulfonamide, 1-methyl-4-(2-methyl-2H-tetrazol-5-yl)- are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1.3; (5)ACD/KOC (pH 7.4): 1.29; (6)#H bond acceptors: 9; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 129.96 Å2; (10)Index of Refraction: 1.836; (11)Molar Refractivity: 56.52 cm3; (12)Molar Volume: 128 cm3; (13)Polarizability: 22.4×10-24cm3; (14)Surface Tension: 92.4 dyne/cm; (15)Density: 1.9 g/cm3; (16)Flash Point: 297.8 °C; (17)Enthalpy of Vaporization: 85.36 kJ/mol; (18)Boiling Point: 568.9 °C at 760 mmHg; (19)Vapour Pressure: 5.9E-13 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cn1nc(nn1)c2cnn(C)c2S(N)(=O)=O
(2)Std. InChI: InChI=1S/C6H9N7O2S/c1-12-6(16(7,14)15)4(3-8-12)5-9-11-13(2)10-5/h3H,1-2H3,(H2,7,14,15)
(3)Std. InChIKey: UEPZNFSFXYSLKP-UHFFFAOYSA-N