Benzenesulfonamide,4-amino-N-1H-indazol-6-yl- supplier

Name
6-SULFANILAMIDOINDAZOLE
EINECS 237-314-4
CAS No. 13744-68-8
Density 1.546 g/cm³
Solubility
Melting Point 193-195 °C(lit.)
Formula C₁₃H₁₂N₄O₂S
Boiling Point 581.1 °C at 760 mmHg
Molecular Weight 288.33
Flash Point 305.2 °C
Transport Information
Appearance
Safety 26
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Sulfanilamide,N1-1H-indazol-6-yl- (8CI);6-(Sulfanilamido)indazole;6-(p-Aminobenzenesulfonylamino)indazole;NSC 140721;SAI;
PSA 109.25000
LogP 3.68090

Benzenesulfonamide,4-amino-N-1H-indazol-6-yl- Specification

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

Product Name

6-SULFANILAMIDOINDAZOLE

Benzenesulfonamide,4-amino-N-1H-indazol-6-yl- Specification

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