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77155-88-5 | Pyridinium, 2-[[(3,4-dimethylphenyl)methyl]thio]-1-methyl-, chloride
CAS No: 77155-88-5 Catalog No: AG005DU7 MDL No:
Product Description
Catalog Number:
AG005DU7
Chemical Name:
Pyridinium, 2-[[(3,4-dimethylphenyl)methyl]thio]-1-methyl-, chloride
CAS Number:
77155-88-5
Molecular Formula:
C15H18ClNS
Molecular Weight:
279.8281
IUPAC Name:
2-[(3,4-dimethylphenyl)methylsulfanyl]-1-methylpyridin-1-ium;chloride
InChI:
InChI=1S/C15H18NS.ClH/c1-12-7-8-14(10-13(12)2)11-17-15-6-4-5-9-16(15)3;/h4-10H,11H2,1-3H3;1H/q+1;/p-1
InChI Key:
IFNUZDMIWAYQGU-UHFFFAOYSA-M
SMILES:
C[n+]1ccccc1SCc1ccc(c(c1)C)C.[Cl-]
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.085g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.826g/mol
Monoisotopic Mass:
279.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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