Home Thiazoles 53454-43-6
53454-43-6,MFCD00030759
Catalog No.:AA00DIFS

53454-43-6 | 2,3,4,5-Tetrahydro-1,5-benzothiazepin-4-one

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Purity
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Price(USD)
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250mg
95%
in stock  
$187.00   $131.00
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1g
95%
in stock  
$427.00   $299.00
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5g
95%
in stock  
$1,308.00   $916.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00DIFS
Chemical Name:
2,3,4,5-Tetrahydro-1,5-benzothiazepin-4-one
CAS Number:
53454-43-6
Molecular Formula:
C9H9NOS
Molecular Weight:
179.2389
MDL Number:
MFCD00030759
SMILES:
O=C1CCSc2c(N1)cccc2
NSC Number:
75690
Properties
Computed Properties
 
Complexity:
183  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
XLogP3:
1.3  

Downstream Synthesis Route

[1]ChemischeBerichte,1970,vol.103,p.2302-2307

[2]JournalofMedicinalChemistry,1996,vol.39,p.3539-3546

[1]Huang;Loew;Funamizu;Mimura;Ishiyama;Hayashida;Okuno;Shimada;Okuyama;Ikegami;Nakano;Inoguchi[JournalofMedicinalChemistry,2001,vol.44,#24,p.4082-4091]

[2]Tabata,Hidetsugu;Wada,Naoya;Takada,Yuko;Oshitari,Tetsuta;Takahashi,Hideyo;Natsugari,Hideaki[JournalofOrganicChemistry,2011,vol.76,#12,p.5123-5131]

[3]Wu,Lingyun;Lu,Kai;Desai,Mahesh;Packiarajan,Mathivanan;Joshi,Amita;Marzabadi,MohammadR.;Jubian,Vrej;Andersen,Kim;Chandrasena,Gamini;Boyle,NoelJ.;Walker,MaryW.[BioorganicandMedicinalChemistryLetters,2011,vol.21,#18,p.5573-5576]

Literature
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SDS
Tags:53454-43-6 Molecular Formula|53454-43-6 MDL|53454-43-6 SMILES|53454-43-6 2,3,4,5-Tetrahydro-1,5-benzothiazepin-4-one