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75646-23-0 | Acetic acid, 2,2'-[1,3,4-thiadiazole-2,5-diylbis(thio)]bis-, dimethyl ester
CAS No: 75646-23-0 Catalog No: AG005J1B MDL No:
Product Description
Catalog Number:
AG005J1B
Chemical Name:
Acetic acid, 2,2'-[1,3,4-thiadiazole-2,5-diylbis(thio)]bis-, dimethyl ester
CAS Number:
75646-23-0
Molecular Formula:
C8H10N2O4S3
Molecular Weight:
294.3710
IUPAC Name:
methyl 2-[[5-(2-methoxy-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
InChI:
InChI=1S/C8H10N2O4S3/c1-13-5(11)3-15-7-9-10-8(17-7)16-4-6(12)14-2/h3-4H2,1-2H3
InChI Key:
PKQXMGXCCQGHHB-UHFFFAOYSA-N
SMILES:
COC(=O)CSc1nnc(s1)SCC(=O)OC
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.98g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.358g/mol
Monoisotopic Mass:
293.98g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
157A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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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