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15874-80-3 | Benzene, [(3-methyl-2-buten-1-yl)sulfonyl]-
CAS No: 15874-80-3 Catalog No: AG001QTP MDL No:
Product Description
Catalog Number:
AG001QTP
Chemical Name:
Benzene, [(3-methyl-2-buten-1-yl)sulfonyl]-
CAS Number:
15874-80-3
Molecular Formula:
C11H14O2S
Molecular Weight:
210.2927
IUPAC Name:
3-methylbut-2-enylsulfonylbenzene
InChI:
InChI=1S/C11H14O2S/c1-10(2)8-9-14(12,13)11-6-4-3-5-7-11/h3-8H,9H2,1-2H3
InChI Key:
VHGJFEIINHHUSQ-UHFFFAOYSA-N
SMILES:
CC(=CCS(=O)(=O)c1ccccc1)C
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.071g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.291g/mol
Monoisotopic Mass:
210.071g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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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