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1539-20-4,MFCD00041064
Catalog No.:AA007XSE

1539-20-4 | Benzene,1-isothiocyanato-2,3-dimethyl-

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
in stock  
$26.00   $18.00
- +
5g
97%
in stock  
$62.00   $43.00
- +
25g
97%
in stock  
$229.00   $160.00
- +
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  • Technical Information
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Technical Information
Catalog Number:
AA007XSE
Chemical Name:
Benzene,1-isothiocyanato-2,3-dimethyl-
CAS Number:
1539-20-4
Molecular Formula:
C9H9NS
Molecular Weight:
163.2395
MDL Number:
MFCD00041064
SMILES:
Cc1c(cccc1C)N=C=S
Properties
Computed Properties
 
Complexity:
172  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Rotatable Bond Count:
1  
XLogP3:
4.1  

Literature

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

Journal: Bioorganic & medicinal chemistry letters 20101101

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SDS
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Tags:1539-20-4 Molecular Formula|1539-20-4 MDL|1539-20-4 SMILES|1539-20-4 Benzene,1-isothiocyanato-2,3-dimethyl-