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88682-19-3 | 1,3-Dithiolo[4,5-f][1,3,5]trithiepin-2-one
CAS No: 88682-19-3 Catalog No: AG004798 MDL No:
Product Description
Catalog Number:
AG004798
Chemical Name:
1,3-Dithiolo[4,5-f][1,3,5]trithiepin-2-one
CAS Number:
88682-19-3
Molecular Formula:
C5H4OS5
Molecular Weight:
240.4097
IUPAC Name:
[1,3]dithiolo[4,5-f][1,3,5]trithiepin-2-one
InChI:
InChI=1S/C5H4OS5/c6-5-10-3-4(11-5)9-2-7-1-8-3/h1-2H2
InChI Key:
GLMNTECYDMMZAK-UHFFFAOYSA-N
SMILES:
O=c1sc2c(s1)SCSCS2
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.887g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.386g/mol
Monoisotopic Mass:
239.887g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
144A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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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