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161192-22-9 | 5-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanoic acid
CAS No: 161192-22-9 Catalog No: AG019IYE MDL No:MFCD01917768
Product Description
Catalog Number:
AG019IYE
Chemical Name:
5-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanoic acid
CAS Number:
161192-22-9
Molecular Formula:
C8H11NO3S2
Molecular Weight:
233.3078
MDL Number:
MFCD01917768
IUPAC Name:
5-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanoic acid
InChI:
InChI=1S/C8H11NO3S2/c10-6-5-14-8(13)9(6)4-2-1-3-7(11)12/h1-5H2,(H,11,12)
InChI Key:
KVEUMEOQMJZFRA-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCN1C(=S)SCC1=O
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.018g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.3g/mol
Monoisotopic Mass:
233.018g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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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