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119835-58-4 | Isothiazolium, 4-ethyl-5-methyl-2-phenyl-, chloride (1:1)
CAS No: 119835-58-4 Catalog No: AG000PRI MDL No:
Product Description
Catalog Number:
AG000PRI
Chemical Name:
Isothiazolium, 4-ethyl-5-methyl-2-phenyl-, chloride (1:1)
CAS Number:
119835-58-4
Molecular Formula:
C12H14ClNS
Molecular Weight:
239.7643
IUPAC Name:
4-ethyl-5-methyl-2-phenyl-1,2-thiazol-2-ium;chloride
InChI:
InChI=1S/C12H14NS.ClH/c1-3-11-9-13(14-10(11)2)12-7-5-4-6-8-12;/h4-9H,3H2,1-2H3;1H/q+1;/p-1
InChI Key:
RTGYNRWAFPEJLW-UHFFFAOYSA-M
SMILES:
CCc1c[n+](sc1C)c1ccccc1.[Cl-]
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.054g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.761g/mol
Monoisotopic Mass:
239.054g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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