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Home Other Building Blocks 590-42-1
590-42-1,MFCD00004816
Catalog No.:AA0035KE

590-42-1 | Tert-Butyl Isothiocyanate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%(GC)
in stock  
$27.00   $19.00
- +
25g
99%
in stock  
$299.00   $209.00
- +
100g
99%
in stock  
$925.00   $648.00
- +
  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0035KE
Chemical Name:
Tert-Butyl Isothiocyanate
CAS Number:
590-42-1
Molecular Formula:
C5H9NS
Molecular Weight:
115.1967
MDL Number:
MFCD00004816
SMILES:
S=C=NC(C)(C)C
Properties
Properties
 
BP:
140.0°C  
Form:
Liquid  
MP:
8-11 °C  
Refractive Index:
1.4795-1.4815  
Stability:
Moisture Sensitive  
Storage:
2-8℃;  

Computed Properties
 
Complexity:
95.1  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
2  
Rotatable Bond Count:
1  
XLogP3:
2.6  

Literature

Title: Fixation of carbon dioxide and related small molecules by a bifunctional frustrated pyrazolylborane Lewis pair.

Journal: Dalton transactions (Cambridge, England : 2003) 20120814

Title: Biodegradation of buprofezin by Rhodococcus sp. strain YL-1 isolated from rice field soil.

Journal: Journal of agricultural and food chemistry 20120314

Title: Allyl-, butyl- and phenylethyl-isothiocyanate activate Nrf2 in cultured fibroblasts.

Journal: Pharmacological research 20110301

Title: Semiquantitative analysis of 3-butenyl isothiocyanate to monitor an off-flavor in mustard seeds and glycosinolates screening for origin identification.

Journal: Journal of agricultural and food chemistry 20100324

Title: Effects of eleven isothiocyanates on P450 2A6- and 2A13-catalyzed coumarin 7-hydroxylation.

Journal: Chemical research in toxicology 20070901

Title: Cytochrome p450 enzymes mechanism based inhibitors: common sub-structures and reactivity.

Journal: Current drug metabolism 20051001

Title: Spectral studies of tert-butyl isothiocyanate-inactivated P450 2E1.

Journal: Biochemistry 20010619

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