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Home Deuterated Building Blocks 4411-26-1
4411-26-1,MFCD00074736
Catalog No.:AA003DUB

4411-26-1 | 1-Adamantyl isothiocyanate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$40.00   $28.00
- +
5g
95
in stock  
$95.00   $67.00
- +
  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003DUB
Chemical Name:
1-Adamantyl isothiocyanate
CAS Number:
4411-26-1
Molecular Formula:
C11H15NS
Molecular Weight:
193.3085
MDL Number:
MFCD00074736
SMILES:
S=C=NC12CC3CC(C2)CC(C1)C3
NSC Number:
529585
Properties
Properties
 
Form:
Solid  
MP:
166-168 °C(lit.)  
Refractive Index:
1.5500 (estimate)  
Storage:
Room Temperature;  

Computed Properties
 
Complexity:
237  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Rotatable Bond Count:
1  
XLogP3:
4.2  

Literature

Title: Cytotoxic properties of Adamantyl isothiocyanate and potential in vivo metabolite adamantyl-N-acetylcystein in gynecological cancer cells.

Journal: Chemical biology & drug design 20120101

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

Journal: Bioorganic & medicinal chemistry letters 20101101

Title: Synthesis, antimicrobial, and anti-inflammatory activities of novel 2-(1-adamantyl)-5-substituted-1,3,4-oxadiazoles and 2-(1-adamantylamino)-5-substituted-1,3,4-thiadiazoles.

Journal: European journal of medicinal chemistry 20070201

Title: Carbonic anhydrase inhibitors: aromatic and heterocyclic sulfonamides incorporating adamantyl moieties with strong anticonvulsant activity.

Journal: Bioorganic & medicinal chemistry 20040515

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Tags:4411-26-1 Molecular Formula|4411-26-1 MDL|4411-26-1 SMILES|4411-26-1 1-Adamantyl isothiocyanate