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67248-07-1

67248-07-1 | Benzothiazolium, 2-[(hydroxyimino)methyl]-3-methyl-, iodide

CAS No: 67248-07-1 Catalog No: AG00639K MDL No:

Product Description

Catalog Number:
AG00639K
Chemical Name:
Benzothiazolium, 2-[(hydroxyimino)methyl]-3-methyl-, iodide
CAS Number:
67248-07-1
Molecular Formula:
C9H9IN2OS
Molecular Weight:
320.1500
IUPAC Name:
N-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]hydroxylamine;iodide
InChI:
InChI=1S/C9H8N2OS.HI/c1-11-7-4-2-3-5-8(7)13-9(11)6-10-12;/h2-6H,1H3;1H
InChI Key:
GVSJPIRBOPLYGV-UHFFFAOYSA-N
SMILES:
ON=Cc1sc2c([n+]1C)cccc2.[I-]

Properties

Complexity:
210  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.948g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
320.148g/mol
Monoisotopic Mass:
319.948g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
64.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  

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