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69462-91-5 | 1,2-Thiazetidine, 2-benzoyl-, 1,1-dioxide
CAS No: 69462-91-5 Catalog No: AG005LUR MDL No:
Product Description
Catalog Number:
AG005LUR
Chemical Name:
1,2-Thiazetidine, 2-benzoyl-, 1,1-dioxide
CAS Number:
69462-91-5
Molecular Formula:
C9H9NO3S
Molecular Weight:
211.2377
IUPAC Name:
(1,1-dioxothiazetidin-2-yl)-phenylmethanone
InChI:
InChI=1S/C9H9NO3S/c11-9(8-4-2-1-3-5-8)10-6-7-14(10,12)13/h1-5H,6-7H2
InChI Key:
XLLMJOHDEIURNN-UHFFFAOYSA-N
SMILES:
O=C(N1CCS1(=O)=O)c1ccccc1
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.03g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.235g/mol
Monoisotopic Mass:
211.03g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Literature
| Title | Journal |
|---|---|
| Novel mechanism of inhibiting beta-lactamases by sulfonylation using beta-sultams. | Bioorganic & medicinal chemistry letters 20031215 |
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