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14372-64-6

14372-64-6 | 2-Benzothiazolamine, 6-propoxy-

CAS No: 14372-64-6 Catalog No: AG001I9J MDL No:MFCD05256486

Product Description

Catalog Number:
AG001I9J
Chemical Name:
2-Benzothiazolamine, 6-propoxy-
CAS Number:
14372-64-6
Molecular Formula:
C10H12N2OS
Molecular Weight:
208.2801
MDL Number:
MFCD05256486
IUPAC Name:
6-propoxy-1,3-benzothiazol-2-amine
InChI:
InChI=1S/C10H12N2OS/c1-2-5-13-7-3-4-8-9(6-7)14-10(11)12-8/h3-4,6H,2,5H2,1H3,(H2,11,12)
InChI Key:
QJWBDYBQSKYQKM-UHFFFAOYSA-N
SMILES:
CCCOc1ccc2c(c1)sc(n2)N
EC Number:
238-344-0

Properties

Complexity:
191  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.067g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
208.279g/mol
Monoisotopic Mass:
208.067g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
76.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  

Literature

Title Journal
Novel small molecule inhibitors of MDR Mycobacterium tuberculosis by NMR fragment screening of antigen 85C. Journal of medicinal chemistry 20101209

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