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88255-31-6 | Pyridinium, 1-[(butylthio)methyl]-3,5-dimethyl-, chloride
CAS No: 88255-31-6 Catalog No: AG004AKR MDL No:
Product Description
Catalog Number:
AG004AKR
Chemical Name:
Pyridinium, 1-[(butylthio)methyl]-3,5-dimethyl-, chloride
CAS Number:
88255-31-6
Molecular Formula:
C12H20ClNS
Molecular Weight:
245.8119
IUPAC Name:
1-(butylsulfanylmethyl)-3,5-dimethylpyridin-1-ium;chloride
InChI:
InChI=1S/C12H20NS.ClH/c1-4-5-6-14-10-13-8-11(2)7-12(3)9-13;/h7-9H,4-6,10H2,1-3H3;1H/q+1;/p-1
InChI Key:
CENNNWJSAOHFDX-UHFFFAOYSA-M
SMILES:
CCCCSC[n+]1cc(C)cc(c1)C.[Cl-]
Properties
Complexity:
139
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.1g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.809g/mol
Monoisotopic Mass:
245.1g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
29.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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