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89269-99-8 | Morpholinium, 4-[2-(acetylthio)propyl]-4-methyl-, iodide
CAS No: 89269-99-8 Catalog No: AG0087LQ MDL No:
Product Description
Catalog Number:
AG0087LQ
Chemical Name:
Morpholinium, 4-[2-(acetylthio)propyl]-4-methyl-, iodide
CAS Number:
89269-99-8
Molecular Formula:
C10H20INO2S
Molecular Weight:
345.2408
IUPAC Name:
S-[1-(4-methylmorpholin-4-ium-4-yl)propan-2-yl] ethanethioate;iodide
InChI:
InChI=1S/C10H20NO2S.HI/c1-9(14-10(2)12)8-11(3)4-6-13-7-5-11;/h9H,4-8H2,1-3H3;1H/q+1;/p-1
InChI Key:
VSYCKMAJOCHTDS-UHFFFAOYSA-M
SMILES:
CC(C[N+]1(C)CCOCC1)SC(=O)C.[I-]
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.026g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
345.239g/mol
Monoisotopic Mass:
345.026g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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