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111428-41-2 | Pyridinium, 2-[(2-mercaptoethyl)thio]-1-methyl-, iodide
CAS No: 111428-41-2 Catalog No: AG0082AQ MDL No:
Product Description
Catalog Number:
AG0082AQ
Chemical Name:
Pyridinium, 2-[(2-mercaptoethyl)thio]-1-methyl-, iodide
CAS Number:
111428-41-2
Molecular Formula:
C8H12INS2
Molecular Weight:
313.2221
IUPAC Name:
2-(1-methylpyridin-1-ium-2-yl)sulfanylethanethiol;iodide
InChI:
InChI=1S/C8H11NS2.HI/c1-9-5-3-2-4-8(9)11-7-6-10;/h2-5H,6-7H2,1H3;1H
InChI Key:
QAHKELNCPACJNP-UHFFFAOYSA-N
SMILES:
SCCSc1cccc[n+]1C.[I-]
Properties
Complexity:
108
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.946g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
313.215g/mol
Monoisotopic Mass:
312.946g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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