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37859-28-2 | 4-(1,3-BENZOTHIAZOL-2-YLMETHYL)ANILINE
CAS No: 37859-28-2 Catalog No: AG00C6RD MDL No:MFCD03773367
Product Description
Catalog Number:
AG00C6RD
Chemical Name:
4-(1,3-BENZOTHIAZOL-2-YLMETHYL)ANILINE
CAS Number:
37859-28-2
Molecular Formula:
C14H12N2S
Molecular Weight:
240.3235
MDL Number:
MFCD03773367
IUPAC Name:
4-(1,3-benzothiazol-2-ylmethyl)aniline
InChI:
InChI=1S/C14H12N2S/c15-11-7-5-10(6-8-11)9-14-16-12-3-1-2-4-13(12)17-14/h1-8H,9,15H2
InChI Key:
GUUPKXREMJGASF-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)Cc1nc2c(s1)cccc2
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.072g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.324g/mol
Monoisotopic Mass:
240.072g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
Literature
| Title | Journal |
|---|---|
| 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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