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19654-17-2 | 2-Benzylsulfanyl-benzothiazole
CAS No: 19654-17-2 Catalog No: AG017747 MDL No:MFCD00099033
Product Description
Catalog Number:
AG017747
Chemical Name:
2-Benzylsulfanyl-benzothiazole
CAS Number:
19654-17-2
Molecular Formula:
C14H11NS2
Molecular Weight:
257.3738
MDL Number:
MFCD00099033
IUPAC Name:
2-benzylsulfanyl-1,3-benzothiazole
InChI:
InChI=1S/C14H11NS2/c1-2-6-11(7-3-1)10-16-14-15-12-8-4-5-9-13(12)17-14/h1-9H,10H2
InChI Key:
JFRIJTKSNFXTIR-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CSc1nc2c(s1)cccc2
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.033g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.369g/mol
Monoisotopic Mass:
257.033g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
Literature
| Title | Journal |
|---|---|
| Heterocyclic benzazole derivatives with antimycobacterial in vitro activity. | Bioorganic & medicinal chemistry letters 20021118 |
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