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76328-38-6 | Benzothiazolium,3-ethyl-6-methoxy-2-methyl-, iodide (1:1)
CAS No: 76328-38-6 Catalog No: AG005QDM MDL No:MFCD00044150
Product Description
Catalog Number:
AG005QDM
Chemical Name:
Benzothiazolium,3-ethyl-6-methoxy-2-methyl-, iodide (1:1)
CAS Number:
76328-38-6
Molecular Formula:
C11H14INOS
Molecular Weight:
335.2044
MDL Number:
MFCD00044150
IUPAC Name:
3-ethyl-6-methoxy-2-methyl-1,3-benzothiazol-3-ium;iodide
InChI:
InChI=1S/C11H14NOS.HI/c1-4-12-8(2)14-11-7-9(13-3)5-6-10(11)12;/h5-7H,4H2,1-3H3;1H/q+1;/p-1
InChI Key:
NMJOSVDNYMJWNS-UHFFFAOYSA-M
SMILES:
COc1ccc2c(c1)sc([n+]2CC)C.[I-]
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.984g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
335.203g/mol
Monoisotopic Mass:
334.984g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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