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146368-07-2

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Basic Information
CAS No.: 146368-07-2
Name: 1-Ethyl-2,3,3-Trimethyl-Indoleninium-5-Sulfonate
Article Data: 21
Molecular Structure:
Molecular Structure of 146368-07-2 (1-Ethyl-2,3,3-Trimethyl-Indoleninium-5-Sulfonate)
Formula: C13H17NO3S
Molecular Weight: 267.349
Synonyms: 1-Ethyl-2,3,3-trimethylindoleninium-5-sulfonate
PSA: 68.59000
LogP: 3.04630
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Specification

The 3H-Indolium,1-ethyl-2,3,3-trimethyl-5-sulfo-, inner salt has CAS registry number 146368-07-2. Its molecular formula is C13H17NO3S and molecular weight is 267.34. What's more, its systematic name is 1-Ethyl-2,3,3-trimethyl-3H-indolium-5-sulfonate.

Physical properties about the 3H-Indolium,1-ethyl-2,3,3-trimethyl-5-sulfo-, inner salt are: (1)ACD/LogP: -6.56; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 68.59 Å2.

You can still convert the following datas into molecular structure:
(1) SMILES: [O-]S(=O)(=O)c2cc1c(\[N+](=C(/C1(C)C)C)CC)cc2
(2) InChI: InChI=1/C13H17NO3S/c1-5-14-9(2)13(3,4)11-8-10(18(15,16)17)6-7-12(11)14/h6-8H,5H2,1-4H3
(3) InChIKey: UQVWIROBIAWZFW-UHFFFAOYAY