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Sulbentine

CAS No.:
350-12-9
Catalog Number:
AG00C6JW
Molecular Formula:
C17H18N2S2
Molecular Weight:
314.4682
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
50mg
98%
1 week
United States
$154
- +
100mg
98%
1 week
United States
$210
- +
Product Description
Catalog Number:
AG00C6JW
Chemical Name:
Sulbentine
CAS Number:
350-12-9
Molecular Formula:
C17H18N2S2
Molecular Weight:
314.4682
MDL Number:
MFCD00023810
IUPAC Name:
3,5-dibenzyl-1,3,5-thiadiazinane-2-thione
InChI:
InChI=1S/C17H18N2S2/c20-17-19(12-16-9-5-2-6-10-16)13-18(14-21-17)11-15-7-3-1-4-8-15/h1-10H,11-14H2
InChI Key:
QFVAWNPSRQWSDU-UHFFFAOYSA-N
SMILES:
S=C1SCN(CN1Cc1ccccc1)Cc1ccccc1
EC Number:
206-497-2
UNII:
D0NR12WK9J
NSC Number:
150555
Properties
Complexity:
336  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.091g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.465g/mol
Monoisotopic Mass:
314.091g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
63.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties