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101533-37-3 | Benzothiazolium, 2-(dimethylamino)-3-methyl-, iodide (1:1)
CAS No: 101533-37-3 Catalog No: AG0004QC MDL No:
Product Description
Catalog Number:
AG0004QC
Chemical Name:
Benzothiazolium, 2-(dimethylamino)-3-methyl-, iodide (1:1)
CAS Number:
101533-37-3
Molecular Formula:
C10H13IN2S
Molecular Weight:
320.1931
IUPAC Name:
N,N,3-trimethyl-1,3-benzothiazol-3-ium-2-amine;iodide
InChI:
InChI=1S/C10H13N2S.HI/c1-11(2)10-12(3)8-6-4-5-7-9(8)13-10;/h4-7H,1-3H3;1H/q+1;/p-1
InChI Key:
URDWSSGQWKWXGA-UHFFFAOYSA-M
SMILES:
CN(c1sc2c([n+]1C)cccc2)C.[I-]
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.984g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.192g/mol
Monoisotopic Mass:
319.984g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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