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881301-91-3 | 3-(2-Thienylcarbonyl)-1,3-thiazolidine-2-thione
CAS No: 881301-91-3 Catalog No: AG01B5VC MDL No:MFCD01029103
Product Description
Catalog Number:
AG01B5VC
Chemical Name:
3-(2-Thienylcarbonyl)-1,3-thiazolidine-2-thione
CAS Number:
881301-91-3
MDL Number:
MFCD01029103
IUPAC Name:
(2-sulfanylidene-1,3-thiazolidin-3-yl)-thiophen-2-ylmethanone
InChI:
InChI=1S/C8H7NOS3/c10-7(6-2-1-4-12-6)9-3-5-13-8(9)11/h1-2,4H,3,5H2
InChI Key:
ZSGVXCMEPFZSKZ-UHFFFAOYSA-N
SMILES:
S=C1SCCN1C(=O)c1cccs1
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.969g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.33g/mol
Monoisotopic Mass:
228.969g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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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