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Home Carboxes 113056-45-4
113056-45-4,MFCD04608662
Catalog No.:AA00785K

113056-45-4 | 5-(4-CHLORO-PHENOXYMETHYL)-4H-[1,2,4]TRIAZOLE-3-THIOL

Pack Size
Purity
Availability
Price(USD)
Quantity
  
50mg
99%
3 weeks  
$181.00   $127.00
- +
100mg
99%
3 weeks  
$213.00   $149.00
- +
250mg
99%
3 weeks  
$256.00   $179.00
- +
500mg
99%
3 weeks  
$336.00   $235.00
- +
1g
99%
3 weeks  
$399.00   $279.00
- +
2.5g
99%
3 weeks  
$675.00   $473.00
- +
5g
99%
3 weeks  
$945.00   $662.00
- +
10g
99%
3 weeks  
$1,343.00   $940.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00785K
Chemical Name:
5-(4-CHLORO-PHENOXYMETHYL)-4H-[1,2,4]TRIAZOLE-3-THIOL
CAS Number:
113056-45-4
Molecular Formula:
C9H8ClN3OS
Molecular Weight:
241.6973
MDL Number:
MFCD04608662
SMILES:
Clc1ccc(cc1)OCc1nnc([nH]1)S
NSC Number:
625837
Properties
Computed Properties
 
Complexity:
277  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
3  
XLogP3:
2.1  

Downstream Synthesis Route
68236-21-5    113056-45-4   
C20H15ClN4O2S 

[1]JournalofMolecularStructure,2021,vol.1229

73568-26-0    113056-45-4   
C20H15ClN4O2S 

[1]D'Souza,VineethaTelma;Nayak,Janardhana;D'Mello,DesmondEdward;Dayananda[JournalofMolecularStructure,2021,vol.1229]

Literature
Quotation Request
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Additional Info:
SDS
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Tags:113056-45-4 Molecular Formula|113056-45-4 MDL|113056-45-4 SMILES|113056-45-4 5-(4-CHLORO-PHENOXYMETHYL)-4H-[1,2,4]TRIAZOLE-3-THIOL