91397-03-4,MFCD03147327
Catalog No.:AA006BD0

91397-03-4 | 4-ISOTHIOCYANATO-1,5-DIMETHYL-2-PHENYL-1,2-DIHYDRO-PYRAZOL-3-ONE

Pack Size
Purity
Availability
Price(USD)
Quantity
  
50mg
91%
3 weeks  
$190.00   $133.00
- +
100mg
91%
3 weeks  
$233.00   $163.00
- +
250mg
91%
3 weeks  
$279.00   $195.00
- +
500mg
91%
3 weeks  
$427.00   $299.00
- +
1g
91%
3 weeks  
$572.00   $400.00
- +
2.5g
91%
3 weeks  
$1,013.00   $709.00
- +
5g
91%
3 weeks  
$1,442.00   $1,009.00
- +
10g
91%
3 weeks  
$2,081.00   $1,457.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA006BD0
Chemical Name:
4-ISOTHIOCYANATO-1,5-DIMETHYL-2-PHENYL-1,2-DIHYDRO-PYRAZOL-3-ONE
CAS Number:
91397-03-4
Molecular Formula:
C12H11N3OS
Molecular Weight:
245.3002
MDL Number:
MFCD03147327
SMILES:
S=C=Nc1c(C)n(n(c1=O)c1ccccc1)C
Properties
Computed Properties
 
Complexity:
406  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Rotatable Bond Count:
2  
XLogP3:
2.2  

Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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Additional Info:
SDS
Tags:91397-03-4 Molecular Formula|91397-03-4 MDL|91397-03-4 SMILES|91397-03-4 4-ISOTHIOCYANATO-1,5-DIMETHYL-2-PHENYL-1,2-DIHYDRO-PYRAZOL-3-ONE
Catalog No.: AA006BD0
91397-03-4,MFCD03147327
91397-03-4 | 4-ISOTHIOCYANATO-1,5-DIMETHYL-2-PHENYL-1,2-DIHYDRO-PYRAZOL-3-ONE
Pack Size: 50mg
Purity: 91%
3 weeks
$190.00 $133.00
Pack Size: 100mg
Purity: 91%
3 weeks
$233.00 $163.00
Pack Size: 250mg
Purity: 91%
3 weeks
$279.00 $195.00
Pack Size: 500mg
Purity: 91%
3 weeks
$427.00 $299.00
Pack Size: 1g
Purity: 91%
3 weeks
$572.00 $400.00
Pack Size: 2.5g
Purity: 91%
3 weeks
$1,013.00 $709.00
Pack Size: 5g
Purity: 91%
3 weeks
$1,442.00 $1,009.00
Pack Size: 10g
Purity: 91%
3 weeks
$2,081.00 $1,457.00
Quantity
- +
Add to Card
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bulk Quotation Request
Technical Information
Catalog Number: AA006BD0
Chemical Name: 4-ISOTHIOCYANATO-1,5-DIMETHYL-2-PHENYL-1,2-DIHYDRO-PYRAZOL-3-ONE
CAS Number: 91397-03-4
Molecular Formula: C12H11N3OS
Molecular Weight: 245.3002
MDL Number: MFCD03147327
SMILES: S=C=Nc1c(C)n(n(c1=O)c1ccccc1)C
Properties
Complexity: 406  
Covalently-Bonded Unit Count: 1  
Heavy Atom Count: 17  
Hydrogen Bond Acceptor Count: 4  
Rotatable Bond Count: 2  
XLogP3: 2.2  
Literature fold

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters20101101

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