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61485-46-9

61485-46-9 | 4,5-BIS(METHYLTHIO)-1,3-DITHIOL-2-ONE

CAS No: 61485-46-9 Catalog No: AG003KH7 MDL No:MFCD00137889

Product Description

Catalog Number:
AG003KH7
Chemical Name:
4,5-BIS(METHYLTHIO)-1,3-DITHIOL-2-ONE
CAS Number:
61485-46-9
MDL Number:
MFCD00137889
IUPAC Name:
4,5-bis(methylsulfanyl)-1,3-dithiol-2-one
InChI:
InChI=1S/C5H6OS4/c1-7-3-4(8-2)10-5(6)9-3/h1-2H3
InChI Key:
ZXNVEXYJVODARP-UHFFFAOYSA-N

Properties

Complexity:
168  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.93g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.342g/mol
Monoisotopic Mass:
209.93g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  

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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