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63149-05-3

63149-05-3 | 2-(Methylthio)-3-(3-Sulfopropyl)-Benzothiazolium Inner Salt

CAS No: 63149-05-3 Catalog No: AG01EA34 MDL No:

Product Description

Catalog Number:
AG01EA34
Chemical Name:
2-(Methylthio)-3-(3-Sulfopropyl)-Benzothiazolium Inner Salt
CAS Number:
63149-05-3
IUPAC Name:
3-(2-methylsulfanyl-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonate
InChI:
InChI=1S/C11H13NO3S3/c1-16-11-12(7-4-8-18(13,14)15)9-5-2-3-6-10(9)17-11/h2-3,5-6H,4,7-8H2,1H3
InChI Key:
RREMLVIQMMQLLV-UHFFFAOYSA-N
EC Number:
263-953-3

Properties

Complexity:
355  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.006g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.409g/mol
Monoisotopic Mass:
303.006g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  

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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