7217-59-6,MFCD00004834
Catalog No.:AA0033AY

7217-59-6 | 2-Methoxybenzenethiol

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5g
>98.0%(GC)
in stock  
$72.00   $51.00
- +
25g
>98.0%(GC)
in stock  
$288.00   $202.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA0033AY
Chemical Name:
2-Methoxybenzenethiol
CAS Number:
7217-59-6
Molecular Formula:
C7H8OS
Molecular Weight:
140.2028
MDL Number:
MFCD00004834
SMILES:
COc1ccccc1S
FEMA Number:
4159
Properties
Properties
 
BP:
235.4°C at 760 mmHg  
Form:
Liquid  
Refractive Index:
n20/D 1.591(lit.)  
Solubility:
H2O: insoluble  
Stability:
Stench  
Storage:
Inert atmosphere;2-8℃;  

Computed Properties
 
Complexity:
85  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.3  

Literature

Title: Identifying chelators for metalloprotein inhibitors using a fragment-based approach.

Journal: Journal of medicinal chemistry 20110127

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SDS
Tags:7217-59-6 Molecular Formula|7217-59-6 MDL|7217-59-6 SMILES|7217-59-6 2-Methoxybenzenethiol
Catalog No.: AA0033AY
7217-59-6,MFCD00004834
7217-59-6 | 2-Methoxybenzenethiol
Pack Size: 5g
Purity: >98.0%(GC)
in stock
$72.00 $51.00
Pack Size: 25g
Purity: >98.0%(GC)
in stock
$288.00 $202.00
Quantity
- +
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bulk Quotation Request
Technical Information
Catalog Number: AA0033AY
Chemical Name: 2-Methoxybenzenethiol
CAS Number: 7217-59-6
Molecular Formula: C7H8OS
Molecular Weight: 140.2028
MDL Number: MFCD00004834
SMILES: COc1ccccc1S
FEMA Number: 4159
Properties
BP: 235.4°C at 760 mmHg  
Form: Liquid  
Refractive Index: n20/D 1.591(lit.)  
Solubility: H2O: insoluble  
Stability: Stench  
Storage: Inert atmosphere;2-8℃;  
Complexity: 85  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 9  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.3  
Literature fold

Title: Identifying chelators for metalloprotein inhibitors using a fragment-based approach.

Journal: Journal of medicinal chemistry20110127

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