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CAS No.: | 184351-56-2 |
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Name: | 2,3,3-TRIMETHYLINDOLENINE-5-SULFONIC ACID, POTASSIUM SALT |
Molecular Structure: | |
Formula: | C11H12KNO3S |
Molecular Weight: | 277.38 |
Synonyms: | 3H-Indole-5-sulfonicacid, 2,3,3-trimethyl-, potassium salt (9CI);5-Sulfo-2,3,3-trimethyl-3H-indolepotassium salt;Potassium 2,3,3-trimethyl-3H-indole-5-sulfonate; |
EINECS: | 1308068-626-2 |
Melting Point: | 262-264°C |
Appearance: | Yellow Solid |
PSA: | 77.94000 |
LogP: | 2.49070 |
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The cas register number of Potassium 2,3,3-trimethyl-3H-indole-5-sulfonate is 184351-56-2. It also can be called as 3H-Indole-5-sulfonicacid, 2,3,3-trimethyl-, potassium salt (1:1) and the Systematic name about this chemical is potassium 2,3,3-trimethyl-3H-indole-5-sulfonate. It belongs to the Aromatics.
Physical properties about Potassium 2,3,3-trimethyl-3H-indole-5-sulfonate are: (1)ACD/LogP: 0.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.65; (4)ACD/LogD (pH 7.4): -3.4; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 75.11Å2.
You can still convert the following datas into molecular structure:
(1)SMILES: [K+].[O-]S(=O)(=O)c2cc1c(\N=C(/C1(C)C)C)cc2
(2)InChI: InChI=1/C11H13NO3S.K/c1-7-11(2,3)9-6-8(16(13,14)15)4-5-10(9)12-7;/h4-6H,1-3H3,(H,13,14,15);/q;+1/p-1
(3)InChIKey: ZWIOSPCYIJAHKM-REWHXWOFAF
(4)Std. InChI: InChI=1S/C11H13NO3S.K/c1-7-11(2,3)9-6-8(16(13,14)15)4-5-10(9)12-7;/h4-6H,1-3H3,(H,13,14,15);/q;+1/p-1
(5)Std. InChIKey: ZWIOSPCYIJAHKM-UHFFFAOYSA-M