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4858-36-0,MFCD01568740
Catalog No.:AA006WMO

4858-36-0 | 5-(Benzylthio)-1,3,4-thiadiazole-2-thiol

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
in stock  
$35.00   $25.00
- +
250mg
95%
in stock  
$43.00   $31.00
- +
1g
95%
in stock  
$171.00   $120.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA006WMO
Chemical Name:
5-(Benzylthio)-1,3,4-thiadiazole-2-thiol
CAS Number:
4858-36-0
Molecular Formula:
C9H8N2S3
Molecular Weight:
240.3682
MDL Number:
MFCD01568740
SMILES:
Sc1nnc(s1)SCc1ccccc1
Properties
Properties
 
Form:
Solid  
MP:
137-139℃  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
246  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.3  

Downstream Synthesis Route
bis-<5-benzylsulfanyl-1.3.4-thiodiazolyl-(2)>-disulfide 
  4858-36-0 

[1]JournalfurpraktischeChemie(Leipzig1954),1899,vol.&lt;2&gt;60,p.45

4858-36-0    96-32-2   
methyl2-(5-benzylthio-1,3,4-thiadiazol-2-ylthio)acetate 

[1]ChemistryofHeterocyclicCompounds,2000,vol.36,p.598-602

4858-36-0   
disodium1,3,4-thiadiazole-2,5-dithiolate 

[1]ChemistryofHeterocyclicCompounds,2000,vol.36,p.857-861

4858-36-0   
sodium;5-benzylsulfanyl-1,3,4thiadiazole-2-thiolate 

[1]ChemistryofHeterocyclicCompounds,2000,vol.36,p.857-861

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:4858-36-0 Molecular Formula|4858-36-0 MDL|4858-36-0 SMILES|4858-36-0 5-(Benzylthio)-1,3,4-thiadiazole-2-thiol
Catalog No.: AA006WMO
4858-36-0,MFCD01568740
4858-36-0 | 5-(Benzylthio)-1,3,4-thiadiazole-2-thiol
Pack Size： 100mg
Purity： 95%
in stock
$35.00 $25.00
Pack Size： 250mg
Purity： 95%
in stock
$43.00 $31.00
Pack Size： 1g
Purity： 95%
in stock
$171.00 $120.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA006WMO
Chemical Name: 5-(Benzylthio)-1,3,4-thiadiazole-2-thiol
CAS Number: 4858-36-0
Molecular Formula: C9H8N2S3
Molecular Weight: 240.3682
MDL Number: MFCD01568740
SMILES: Sc1nnc(s1)SCc1ccccc1
Properties
Form: Solid  
MP: 137-139℃  
Storage: Keep in dry area;Room Temperature;  
Complexity: 246  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 14  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.3  
Downstream Synthesis Route
bis-<5-benzylsulfanyl-1.3.4-thiodiazolyl-(2)>-disulfide 
  4858-36-0 

[1]JournalfurpraktischeChemie(Leipzig1954),1899,vol.&lt;2&gt;60,p.45

4858-36-0    96-32-2   
methyl2-(5-benzylthio-1,3,4-thiadiazol-2-ylthio)acetate 

[1]ChemistryofHeterocyclicCompounds,2000,vol.36,p.598-602

4858-36-0   
disodium1,3,4-thiadiazole-2,5-dithiolate 

[1]ChemistryofHeterocyclicCompounds,2000,vol.36,p.857-861

4858-36-0   
sodium;5-benzylsulfanyl-1,3,4thiadiazole-2-thiolate 

[1]ChemistryofHeterocyclicCompounds,2000,vol.36,p.857-861

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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