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133158-13-1 | Benzothiazole, 2-[(2-methyl-2-propenyl)thio]- (9CI)
CAS No: 133158-13-1 Catalog No: AG00A3T5 MDL No:
Product Description
Catalog Number:
AG00A3T5
Chemical Name:
Benzothiazole, 2-[(2-methyl-2-propenyl)thio]- (9CI)
CAS Number:
133158-13-1
IUPAC Name:
2-(2-methylprop-2-enylsulfanyl)-1,3-benzothiazole
InChI:
InChI=1S/C11H11NS2/c1-8(2)7-13-11-12-9-5-3-4-6-10(9)14-11/h3-6H,1,7H2,2H3
InChI Key:
LXARVXHJBUFLCE-UHFFFAOYSA-N
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.033g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.336g/mol
Monoisotopic Mass:
221.033g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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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