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52057-90-6,MFCD00727991
Catalog No.:AA00DCR1

52057-90-6 | 5-Pentyl-1,3,4-thiadiazol-2-amine

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$40.00   $28.00
- +
5g
95%
in stock  
$161.00   $113.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00DCR1
Chemical Name:
5-Pentyl-1,3,4-thiadiazol-2-amine
CAS Number:
52057-90-6
Molecular Formula:
C7H13N3S
Molecular Weight:
171.2632
MDL Number:
MFCD00727991
SMILES:
CCCCCc1nnc(s1)N
Properties
Properties
 
BP:
302.6°C at 760 mmHg  
Storage:
Inert atmosphere;Room Temperature;  

Computed Properties
 
Complexity:
110  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.3  

Downstream Synthesis Route

[1]Journalofmedicinalandpharmaceuticalchemistry,1962,vol.5,p.247-257

[1]Pharmazie,1978,vol.33,p.254-256

[1]Pharmazie,1978,vol.33,p.254-256

[1]Torgova,S.I.;Abolin,A.G.;Karamysheva,L.A.;Ivashchenko,A.V.[JournalofOrganicChemistryUSSR(EnglishTranslation),1988,vol.24,p.172-178][ZhurnalOrganicheskoiKhimii,1988,vol.24,#1,p.192-199]

[1]IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,1994,vol.33,p.1189-1190

Literature

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

Journal: Bioorganic & medicinal chemistry letters 20101101

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

Quotation Request
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Additional Info:
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SDS
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Tags:52057-90-6 Molecular Formula|52057-90-6 MDL|52057-90-6 SMILES|52057-90-6 5-Pentyl-1,3,4-thiadiazol-2-amine
Catalog No.: AA00DCR1
52057-90-6,MFCD00727991
52057-90-6 | 5-Pentyl-1,3,4-thiadiazol-2-amine
Pack Size： 1g
Purity： 95%
in stock
$40.00 $28.00
Pack Size： 5g
Purity： 95%
in stock
$161.00 $113.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00DCR1
Chemical Name: 5-Pentyl-1,3,4-thiadiazol-2-amine
CAS Number: 52057-90-6
Molecular Formula: C7H13N3S
Molecular Weight: 171.2632
MDL Number: MFCD00727991
SMILES: CCCCCc1nnc(s1)N
Properties
BP: 302.6°C at 760 mmHg  
Storage: Inert atmosphere;Room Temperature;  
Complexity: 110  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 11  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 4  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.3  
Downstream Synthesis Route
52057-90-6    10130-87-7    92327-70-3 

[1]Journalofmedicinalandpharmaceuticalchemistry,1962,vol.5,p.247-257

52057-90-6    67475-55-2    67475-50-7 

[1]Pharmazie,1978,vol.33,p.254-256

52057-90-6    67475-56-3    67475-51-8 

[1]Pharmazie,1978,vol.33,p.254-256

52057-90-6    64328-68-3    114751-60-9 

[1]Torgova,S.I.;Abolin,A.G.;Karamysheva,L.A.;Ivashchenko,A.V.[JournalofOrganicChemistryUSSR(EnglishTranslation),1988,vol.24,p.172-178][ZhurnalOrganicheskoiKhimii,1988,vol.24,#1,p.192-199]

52057-90-6    550-24-3    160562-19-6 

[1]IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,1994,vol.33,p.1189-1190

Literature fold

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

Journal: Bioorganic & medicinal chemistry letters20101101

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology20060501

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