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87359-73-7 | Thiomorpholinium, 4-[(2,5-dimethoxyphenyl)methoxymethylene]-, iodide
CAS No: 87359-73-7 Catalog No: AG004KP1 MDL No:
Product Description
Catalog Number:
AG004KP1
Chemical Name:
Thiomorpholinium, 4-[(2,5-dimethoxyphenyl)methoxymethylene]-, iodide
CAS Number:
87359-73-7
Molecular Formula:
C14H20INO3S
Molecular Weight:
409.2830
IUPAC Name:
4-[(2,5-dimethoxyphenyl)methoxymethylidene]thiomorpholin-4-ium;iodide
InChI:
InChI=1S/C14H20NO3S.HI/c1-16-13-3-4-14(17-2)12(9-13)10-18-11-15-5-7-19-8-6-15;/h3-4,9,11H,5-8,10H2,1-2H3;1H/q+1;/p-1
InChI Key:
KLVBNYYVNIHCQN-UHFFFAOYSA-M
SMILES:
COc1ccc(cc1COC=[N+]1CCSCC1)OC.[I-]
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
409.021g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
409.282g/mol
Monoisotopic Mass:
409.021g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
56A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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