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5530-52-9 | 6-Methoxy-3-methylbenzo[d]thiazol-2(3H)-imine hydroiodide
CAS No: 5530-52-9 Catalog No: AG01AST5 MDL No:MFCD28165972
Product Description
Catalog Number:
AG01AST5
Chemical Name:
6-Methoxy-3-methylbenzo[d]thiazol-2(3H)-imine hydroiodide
CAS Number:
5530-52-9
Molecular Formula:
C9H11IN2OS
Molecular Weight:
322.1659
MDL Number:
MFCD28165972
IUPAC Name:
6-methoxy-3-methyl-1,3-benzothiazol-2-imine;hydroiodide
InChI:
InChI=1S/C9H10N2OS.HI/c1-11-7-4-3-6(12-2)5-8(7)13-9(11)10;/h3-5,10H,1-2H3;1H
InChI Key:
WPPOEJLOELANGD-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)sc(=N)n2C.I
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.964g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
322.164g/mol
Monoisotopic Mass:
321.964g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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