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119835-54-0 | Isothiazolium, 4,5-dimethyl-2-phenyl-, chloride (1:1)
CAS No: 119835-54-0 Catalog No: AG000PRK MDL No:
Product Description
Catalog Number:
AG000PRK
Chemical Name:
Isothiazolium, 4,5-dimethyl-2-phenyl-, chloride (1:1)
CAS Number:
119835-54-0
Molecular Formula:
C11H12ClNS
Molecular Weight:
225.7377
IUPAC Name:
4,5-dimethyl-2-phenyl-1,2-thiazol-2-ium;chloride
InChI:
InChI=1S/C11H12NS.ClH/c1-9-8-12(13-10(9)2)11-6-4-3-5-7-11;/h3-8H,1-2H3;1H/q+1;/p-1
InChI Key:
TURLBAQGDDQOFM-UHFFFAOYSA-M
SMILES:
Cc1s[n+](cc1C)c1ccccc1.[Cl-]
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.038g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.734g/mol
Monoisotopic Mass:
225.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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