Home Other Building Blocks 1017241-36-9
1017241-36-9,MFCD18379579
Catalog No.:AA00058T
1017241-36-9 | 2-Propanone, 1-[4,5-dihydro-2-(4-methyl-1-piperazinyl)-4-thioxo-3H-1,5-benzodiazepin-3-ylidene]-, (1Z)-
Pack Size
Purity
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1mg
1 week  
$393.00   $275.00
- +
2mg
1 week  
$608.00   $425.00
- +
5mg
1 week  
$1,054.00   $738.00
- +
10mg
1 week  
$1,500.00   $1,050.00
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25mg
1 week  
$2,750.00   $1,925.00
- +
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Technical Information
Catalog Number:
AA00058T
Chemical Name:
2-Propanone, 1-[4,5-dihydro-2-(4-methyl-1-piperazinyl)-4-thioxo-3H-1,5-benzodiazepin-3-ylidene]-, (1Z)-
CAS Number:
1017241-36-9
Molecular Formula:
C17H20N4OS
Molecular Weight:
328.4319
MDL Number:
MFCD18379579
IUPAC Name:
3-[(Z)-2-hydroxyprop-1-enyl]-4-(4-methylpiperazin-1-yl)-1,5-benzodiazepine-2-thione
InChI:
InChI=1S/C17H20N4OS/c1-12(22)11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)23/h3-6,11,22H,7-10H2,1-2H3/b12-11-
InChI Key:
FGFJFJPSKUZRCI-QXMHVHEDSA-N
SMILES:
CN1CCN(CC1)c1nc2ccccc2[nH]c(=S)/c/1=C\C(=O)C
Properties
Computed Properties
 
Complexity:
704  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
328.136g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
328.434g/mol
Monoisotopic Mass:
328.136g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
83.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  

Synonyms
 
Olanzapine Thiolactam Impurity 
1017241-36-9 
(Z)-1-(4-(4-Methylpiperazin-1-yl)-2-thioxo-1H-benzo[b][1,4]diazepin-3(2H)-ylidene)propan-2-one 
AKOS030621550 
RT-017506 
FT-0673225 
J-000487 
2-Propanone, 1-[4,5-dihydro-2-(4-methyl-1-piperazinyl)-4-thioxo-3H-1,5-benzodiazepin-3-ylidene]-, (1Z)- 
OlanzapineThiolactaMIMpurity 
Literature
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