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855466-06-7 | 2(3H)-Benzothiazolimine,3-methyl-, hydrochloride (1:1)
CAS No: 855466-06-7 Catalog No: AG004R2W MDL No:
Product Description
Catalog Number:
AG004R2W
Chemical Name:
2(3H)-Benzothiazolimine,3-methyl-, hydrochloride (1:1)
CAS Number:
855466-06-7
Molecular Formula:
C8H9ClN2S
Molecular Weight:
200.6885
IUPAC Name:
3-methyl-1,3-benzothiazol-3-ium-2-amine;chloride
InChI:
InChI=1S/C8H8N2S.ClH/c1-10-6-4-2-3-5-7(6)11-8(10)9;/h2-5,9H,1H3;1H
InChI Key:
NHRSYKQLMFFJLF-UHFFFAOYSA-N
SMILES:
C[n+]1c(N)sc2c1cccc2.[Cl-]
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.017g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
200.684g/mol
Monoisotopic Mass:
200.017g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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