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3357-53-7 | 2-(2,4-Cyclopentadien-1-ylidene)-1,3-dithiolane
CAS No: 3357-53-7 Catalog No: AG003EQ9 MDL No:MFCD00209568
Product Description
Catalog Number:
AG003EQ9
Chemical Name:
2-(2,4-Cyclopentadien-1-ylidene)-1,3-dithiolane
CAS Number:
3357-53-7
Molecular Formula:
C8H8S2
Molecular Weight:
168.2791
MDL Number:
MFCD00209568
IUPAC Name:
2-cyclopenta-2,4-dien-1-ylidene-1,3-dithiolane
InChI:
InChI=1S/C8H8S2/c1-2-4-7(3-1)8-9-5-6-10-8/h1-4H,5-6H2
InChI Key:
QGQBREBGIBKDOS-UHFFFAOYSA-N
SMILES:
C1CSC(=C2C=CC=C2)S1
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.007g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.272g/mol
Monoisotopic Mass:
168.007g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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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