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2786-31-4 | Benzothiazolium, 3-methyl-, iodide (1:1)
CAS No: 2786-31-4 Catalog No: AG002UYV MDL No:MFCD00050297
Product Description
Catalog Number:
AG002UYV
Chemical Name:
Benzothiazolium, 3-methyl-, iodide (1:1)
CAS Number:
2786-31-4
Molecular Formula:
C8H8INS
Molecular Weight:
277.1253
MDL Number:
MFCD00050297
IUPAC Name:
3-methyl-1,3-benzothiazol-3-ium;iodide
InChI:
InChI=1S/C8H8NS.HI/c1-9-6-10-8-5-3-2-4-7(8)9;/h2-6H,1H3;1H/q+1;/p-1
InChI Key:
SGYIRNXZLWJMCR-UHFFFAOYSA-M
SMILES:
C[n+]1csc2c1cccc2.[I-]
EC Number:
220-505-1
NSC Number:
141732
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.942g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.123g/mol
Monoisotopic Mass:
276.942g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
32.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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