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1747-60-0 | 2-Benzothiazolamine, 6-methoxy-
CAS No: 1747-60-0 Catalog No: AG001ZWE MDL No:MFCD00005787
Product Description
Catalog Number:
AG001ZWE
Chemical Name:
2-Benzothiazolamine, 6-methoxy-
CAS Number:
1747-60-0
Molecular Formula:
C8H8N2OS
Molecular Weight:
180.2269
MDL Number:
MFCD00005787
IUPAC Name:
6-methoxy-1,3-benzothiazol-2-amine
InChI:
InChI=1S/C8H8N2OS/c1-11-5-2-3-6-7(4-5)12-8(9)10-6/h2-4H,1H3,(H2,9,10)
InChI Key:
KZHGPDSVHSDCMX-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)sc(n2)N
EC Number:
217-130-0
UNII:
LAT2842YVX
NSC Number:
27516
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.036g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.225g/mol
Monoisotopic Mass:
180.036g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
76.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| Hydroxybenzothiazoles as new nonsteroidal inhibitors of 17β-hydroxysteroid dehydrogenase type 1 (17β-HSD1). | PloS one 20120101 |
| Dimethyl [(4-fluoro-phen-yl)(6-methoxy-benzothia-zol-2-ylamino)meth-yl]phospho-nate. | Acta crystallographica. Section E, Structure reports online 20090601 |
| 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 |
| Prediction of genotoxicity of chemical compounds by statistical learning methods. | Chemical research in toxicology 20050601 |
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