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53440-32-7,MFCD00052612
Catalog No.:AA00DCTG

53440-32-7 | 2-(1,4,5,6-Tetrahydro-2-pyrimidinyl)benzenethiol

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
1 week  
$180.00   $126.00
- +
1g
1 week  
$452.00   $317.00
- +
5g
>95%
1 week  
$2,010.00   $1,407.00
- +
10g
>95%
1 week  
$3,206.00   $2,244.00
- +
25g
>95%
1 week  
$6,796.00   $4,757.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00DCTG
Chemical Name:
2-(1,4,5,6-Tetrahydro-2-pyrimidinyl)benzenethiol
CAS Number:
53440-32-7
Molecular Formula:
C10H12N2S
Molecular Weight:
192.2807
MDL Number:
MFCD00052612
SMILES:
Sc1ccccc1C1=NCCCN1
Properties
Properties
 
Form:
Solid  
MP:
235-237℃  

Computed Properties
 
Complexity:
203  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
1  
XLogP3:
1.4  

Downstream Synthesis Route
53440-32-7    184970-28-3   
2-2-(5-bromo-2-methoxy-benzylsulfanyl)-phenyl-1,4,5,6,-tetrahydropyrimidine 

[1]JournalofMedicinalChemistry,2004,vol.47,p.1602-1604

[1]Patent:WO2006/133098,2006,A2.Locationinpatent:Page/Pagecolumn46-47;6/18

70-18-8    72596-74-8    27025-41-8   
3,4-dihydro-2H-benzo4,5isothiazolo2,3-apyrimidine 
 
C11H16N4O6S 
 
C20H27N5O6S2 
 
C10H12N2O2S 
  53440-32-7   
3,4-dihydro-2H,6H-pyrimido1,2-c1,3benzothiazin-6-one 

[1]BiochimicaetBiophysicaActa-GeneralSubjects,2019,vol.1863,p.577-585

Literature
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SDS
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Tags:53440-32-7 Molecular Formula|53440-32-7 MDL|53440-32-7 SMILES|53440-32-7 2-(1,4,5,6-Tetrahydro-2-pyrimidinyl)benzenethiol