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790232-36-9,MFCD06356495
Catalog No.:AA019JEU

790232-36-9 | 5-(5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-methyl-4H-1,2,4-triazole-3-thiol

Pack Size
Purity
Availability
Price(USD)
Quantity
  
50mg
98%
3 weeks  
$133.00   $93.00
- +
100mg
98%
3 weeks  
$175.00   $123.00
- +
250mg
98%
3 weeks  
$222.00   $155.00
- +
500mg
98%
3 weeks  
$370.00   $259.00
- +
1g
98%
3 weeks  
$515.00   $360.00
- +
2.5g
98%
3 weeks  
$956.00   $669.00
- +
5g
98%
3 weeks  
$1,384.00   $969.00
- +
10g
98%
3 weeks  
$2,024.00   $1,417.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA019JEU
Chemical Name:
5-(5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-methyl-4H-1,2,4-triazole-3-thiol
CAS Number:
790232-36-9
Molecular Formula:
C13H17N3S2
Molecular Weight:
279.4242
MDL Number:
MFCD06356495
SMILES:
CCC1CCc2c(C1)cc(s2)c1nnc(n1C)S
Properties
Computed Properties
 
Complexity:
382  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.7  

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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SDS
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Tags:790232-36-9 Molecular Formula|790232-36-9 MDL|790232-36-9 SMILES|790232-36-9 5-(5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-methyl-4H-1,2,4-triazole-3-thiol
Catalog No.: AA019JEU
790232-36-9,MFCD06356495
790232-36-9 | 5-(5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-methyl-4H-1,2,4-triazole-3-thiol
Pack Size： 50mg
Purity： 98%
3 weeks
$133.00 $93.00
Pack Size： 100mg
Purity： 98%
3 weeks
$175.00 $123.00
Pack Size： 250mg
Purity： 98%
3 weeks
$222.00 $155.00
Pack Size： 500mg
Purity： 98%
3 weeks
$370.00 $259.00
Pack Size： 1g
Purity： 98%
3 weeks
$515.00 $360.00
Pack Size： 2.5g
Purity： 98%
3 weeks
$956.00 $669.00
Pack Size： 5g
Purity： 98%
3 weeks
$1,384.00 $969.00
Pack Size： 10g
Purity： 98%
3 weeks
$2,024.00 $1,417.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA019JEU
Chemical Name: 5-(5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-methyl-4H-1,2,4-triazole-3-thiol
CAS Number: 790232-36-9
Molecular Formula: C13H17N3S2
Molecular Weight: 279.4242
MDL Number: MFCD06356495
SMILES: CCC1CCc2c(C1)cc(s2)c1nnc(n1C)S
Properties
Complexity: 382  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 18  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 1  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.7  
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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