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24556-95-4 | 2-(Hydroxymethyl)-3-methyl-1,3-benzothiazol-3-ium iodide
CAS No: 24556-95-4 Catalog No: AG01EULJ MDL No:
Product Description
Catalog Number:
AG01EULJ
Chemical Name:
2-(Hydroxymethyl)-3-methyl-1,3-benzothiazol-3-ium iodide
CAS Number:
24556-95-4
Molecular Formula:
C9H10INOS
Molecular Weight:
307.1513
IUPAC Name:
(3-methyl-1,3-benzothiazol-3-ium-2-yl)methanol;iodide
InChI:
InChI=1S/C9H10NOS.HI/c1-10-7-4-2-3-5-8(7)12-9(10)6-11;/h2-5,11H,6H2,1H3;1H/q+1;/p-1
InChI Key:
PAFCLPFERGNTRW-UHFFFAOYSA-M
SMILES:
OCc1sc2c([n+]1C)cccc2.[I-]
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.953g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
307.149g/mol
Monoisotopic Mass:
306.953g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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