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1-[(Carboethoxy)methylthio]pentylidenyldimethylammonium Iodide structure
1-[(Carboethoxy)methylthio]pentylidenyldimethylammonium Iodide structure

1-[(Carboethoxy)methylthio]pentylidenyldimethylammonium Iodide

CAS No.: 73200-01-8
Molecular Weight:359.27
Modify Date.: 2022-11-09 15:44
1. Names and Identifiers
1.1 Name
1-[(Carboethoxy)methylthio]pentylidenyldimethylammonium Iodide
1.2 CAS No.
73200-01-8
1.3 Molecular Formula
C11H22INO2S (isomer)
1.4 Inchi
InChI=1S/C11H22NO2S.HI/c1-5-7-8-10(12(3)4)15-9-11(13)14-6-2;/h5-9H2,1-4H3;1H/q+1;/p-1
1.5 InChIkey
WOGXLUPMZPVYHS-UHFFFAOYSA-M
1.6 Canonical Smiles
[I-].CCCCC(SCC(=O)OCC)=[N+](C)C
1.7 Isomers Smiles
[I-].CCCCC(SCC(=O)OCC)=[N+](C)C
2. Properties
2.1 Precise Quality
359.04200
2.1 PSA
54.61000
2.1 logP
3.14170
4. Realated Product Infomation