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14779-16-9 | 2(3H)-Benzothiazolimine, 3-methyl-
CAS No: 14779-16-9 Catalog No: AG001F7L MDL No:MFCD00126967
Product Description
Catalog Number:
AG001F7L
Chemical Name:
2(3H)-Benzothiazolimine, 3-methyl-
CAS Number:
14779-16-9
Molecular Formula:
C8H8N2S
Molecular Weight:
164.2275
MDL Number:
MFCD00126967
IUPAC Name:
3-methyl-1,3-benzothiazol-2-imine
InChI:
InChI=1S/C8H8N2S/c1-10-6-4-2-3-5-7(6)11-8(10)9/h2-5,9H,1H3
InChI Key:
VYFQTZSQRZCAGR-UHFFFAOYSA-N
SMILES:
Cn1c(=N)sc2c1cccc2
EC Number:
238-845-4
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.041g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
164.226g/mol
Monoisotopic Mass:
164.041g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| Novel N-heterocyclic ylideneamine gold(I) complexes: synthesis, characterisation and screening for antitumour and antimalarial activity. | Dalton transactions (Cambridge, England : 2003) 20110221 |
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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