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513-10-0 | ECOTHIOPATE IODIDE
CAS No: 513-10-0 Catalog No: AG00DEIT MDL No:
Product Description
Catalog Number:
AG00DEIT
Chemical Name:
ECOTHIOPATE IODIDE
CAS Number:
513-10-0
Molecular Formula:
C9H23INO3PS
Molecular Weight:
383.2271
IUPAC Name:
2-diethoxyphosphorylsulfanylethyl(trimethyl)azanium;iodide
InChI:
InChI=1S/C9H23NO3PS.HI/c1-6-12-14(11,13-7-2)15-9-8-10(3,4)5;/h6-9H2,1-5H3;1H/q+1;/p-1
InChI Key:
OVXQHPWHMXOFRD-UHFFFAOYSA-M
SMILES:
CCOP(=O)(SCC[N+](C)(C)C)OCC.[I-]
EC Number:
208-152-1
UNII:
BA9QH3P00T
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
383.018g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
383.225g/mol
Monoisotopic Mass:
383.018g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
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