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CAS No.: | 13744-68-8 |
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Name: | 6-SULFANILAMIDOINDAZOLE |
Molecular Structure: | |
Formula: | C13H12N4O2S |
Molecular Weight: | 288.33 |
Synonyms: | Sulfanilamide,N1-1H-indazol-6-yl- (8CI);6-(Sulfanilamido)indazole;6-(p-Aminobenzenesulfonylamino)indazole;NSC 140721;SAI; |
EINECS: | 237-314-4 |
Density: | 1.546 g/cm3 |
Melting Point: | 193-195 °C(lit.) |
Boiling Point: | 581.1 °C at 760 mmHg |
Flash Point: | 305.2 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26 |
PSA: | 109.25000 |
LogP: | 3.68090 |
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The CAS registry number of Benzenesulfonamide,4-amino-N-1H-indazol-6-yl- is 13744-68-8. This chemical is also named as 6-(Sulfanilamido)indazole. The EINECS registry number of it is 237-314-4. In addition, its molecular formula is C13H12N4O2S and molecular weight is 288.32. Its systematic name and IUPAC name are the same which is called 4-amino-N-(1H-indazol-6-yl)benzenesulfonamide.
Physical properties about Benzenesulfonamide,4-amino-N-1H-indazol-6-yl- are: (1)ACD/LogP: 1.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.16; (4)ACD/LogD (pH 7.4): 1.13; (5)ACD/BCF (pH 5.5): 4.45; (6)ACD/BCF (pH 7.4): 4.22; (7)ACD/KOC (pH 5.5): 101.33; (8)ACD/KOC (pH 7.4): 96.11; (9)#H bond acceptors: 6; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.761; (13)Molar Refractivity: 76.82 cm3; (14)Molar Volume: 186.4 cm3; (15)Surface Tension: 90.4 dyne/cm; (16)Density: 1.546 g/cm3; (17)Flash Point: 305.2 °C; (18)Enthalpy of Vaporization: 86.91 kJ/mol; (19)Boiling Point: 581.1 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1ccc(N)cc1)Nc2ccc3c(c2)nnc3
(2)InChI: InChI=1/C13H12N4O2S/c14-10-2-5-12(6-3-10)20(18,19)17-11-4-1-9-8-15-16-13(9)7-11/h1-8,17H,14H2,(H,15,16)
(3)InChIKey: RLNLIVBLEZDLMZ-UHFFFAOYAC