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1205-06-7,MFCD00022058
Catalog No.:AA003L8K

1205-06-7 | 4-Ethoxycarbonylphenyl isothiocyanate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$48.00   $34.00
- +
5g
98%
in stock  
$167.00   $117.00
- +
25g
98%
in stock  
$600.00   $420.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003L8K
Chemical Name:
4-Ethoxycarbonylphenyl isothiocyanate
CAS Number:
1205-06-7
Molecular Formula:
C10H9NO2S
Molecular Weight:
207.2490
MDL Number:
MFCD00022058
SMILES:
CCOC(=O)c1ccc(cc1)N=C=S
NSC Number:
294821
Properties
Properties
 
Storage:
Room Temperature;Keep in dry area;  

Computed Properties
 
Complexity:
241  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
4.2  

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:1205-06-7 Molecular Formula|1205-06-7 MDL|1205-06-7 SMILES|1205-06-7 4-Ethoxycarbonylphenyl isothiocyanate
Catalog No.: AA003L8K
1205-06-7,MFCD00022058
1205-06-7 | 4-Ethoxycarbonylphenyl isothiocyanate
Pack Size： 1g
Purity： 98%
in stock
$48.00 $34.00
Pack Size： 5g
Purity： 98%
in stock
$167.00 $117.00
Pack Size： 25g
Purity： 98%
in stock
$600.00 $420.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA003L8K
Chemical Name: 4-Ethoxycarbonylphenyl isothiocyanate
CAS Number: 1205-06-7
Molecular Formula: C10H9NO2S
Molecular Weight: 207.2490
MDL Number: MFCD00022058
SMILES: CCOC(=O)c1ccc(cc1)N=C=S
NSC Number: 294821
Properties
Storage: Room Temperature;Keep in dry area;  
Complexity: 241  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 14  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 4  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 4.2  
Literature fold

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

Journal: Bioorganic & medicinal chemistry letters20101101

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