+1 858-523-8231
Login | Register
AA Blocks, Building Blocks, Catalysts, Inhibitors
Login | Register
Home Other Building Blocks 645-54-5
645-54-5,MFCD00022177
Catalog No.:AA00327D

645-54-5 | 2-Phenylethanethioamide

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$79.00   $55.00
- +
5g
95%
in stock  
$268.00   $188.00
- +
10g
95%
in stock  
$509.00   $356.00
- +
25g
95%
in stock  
$763.00   $534.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00327D
Chemical Name:
2-Phenylethanethioamide
CAS Number:
645-54-5
Molecular Formula:
C8H9NS
Molecular Weight:
151.2288
MDL Number:
MFCD00022177
SMILES:
NC(=S)Cc1ccccc1
Properties
Properties
 
BP:
277.3±33.0℃ (760 Torr)  
Form:
Solid  
MP:
96-98°C  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
116  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
1  

Downstream Synthesis Route
5625-80-9    645-54-5   
4-2-(2-benzyl-4,5-dihydro-imidazol-1-yl)-ethyl-morpholine 

[1]Hager;Al-Jaleel[JournaloftheAmericanPharmaceuticalAssociation(1912),1955,vol.44,p.654]

[1]TetrahedronLetters,1988,vol.29,p.3765-3768

86499-96-9    645-54-5   
2-Benzyl-9,10-dihydro-4H-1-thia-3,4-diaza-benzofazulene 

[1]JournalofHeterocyclicChemistry,1994,vol.31,p.1545-1552

[1]Larsen,ScottD.;Stachew,CarlF.;Clare,PaulaM.;Cubbage,JerryW.;Leach,KarenL.[BioorganicandMedicinalChemistryLetters,2003,vol.13,#20,p.3491-3495]

[2]Senger,Johanna;Melesina,Jelena;Marek,Martin;Romier,Christophe;Oehme,Ina;Witt,Olaf;Sippl,Wolfgang;Jung,Manfred[JournalofMedicinalChemistry,2016,vol.59,#4,p.1545-1555]

20970-50-7    645-54-5   
2-benzyl-4-(1'-methyl-5'-imidazolyl)thiazolehydrochloride 

[1]Patent:US4746669,1988,A

Literature

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

Journal: Bioorganic & medicinal chemistry letters 20101101

Quotation Request
Company Name:
*
Contact Person:
*
Email:
*
Quantity Required:
*
Country:
Additional Info:
SDS
Related Products of 645-54-5
17518-47-7

17518-47-7

 17518-50-2

17518-50-2

 17709-95-4

17709-95-4

 6487-91-8

6487-91-8

 34243-66-8

34243-66-8

 97426-53-4

97426-53-4
Building Blocks
More >
Tags:645-54-5 Molecular Formula|645-54-5 MDL|645-54-5 SMILES|645-54-5 2-Phenylethanethioamide