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3112-90-1,MFCD00025074
Catalog No.:AA003237

3112-90-1 | (Methanesulfonylmethyl)benzene

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
in stock  
$27.00   $19.00
- +
5g
97%
in stock  
$31.00   $22.00
- +
25g
98%
in stock  
$65.00   $45.00
- +
100g
98%
in stock  
$172.00   $120.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003237
Chemical Name:
(Methanesulfonylmethyl)benzene
CAS Number:
3112-90-1
Molecular Formula:
C8H10O2S
Molecular Weight:
170.2288
MDL Number:
MFCD00025074
SMILES:
CS(=O)(=O)Cc1ccccc1
NSC Number:
409406
Properties
Properties
 
Form:
Solid  
MP:
124℃  
Storage:
Room Temperature;  

Computed Properties
 
Complexity:
195  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
0.8  

Downstream Synthesis Route

[1]Chang,Meng-Yang;Chen,Yi-Chia;Chan,Chieh-Kai[Tetrahedron,2014,vol.70,#13,p.2257-2263]

[1]GreenChemistry,2017,vol.19,p.112-116

[1]Synthesis,2022,vol.54,p.153-160

Literature

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

Journal: Bioorganic & medicinal chemistry letters 20101101

Title: 4-Amino derivatives of the Hsp90 inhibitor CCT018159.

Journal: Bioorganic & medicinal chemistry letters 20060501

Quotation Request
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SDS
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Tags:3112-90-1 Molecular Formula|3112-90-1 MDL|3112-90-1 SMILES|3112-90-1 (Methanesulfonylmethyl)benzene
Catalog No.: AA003237
3112-90-1,MFCD00025074
3112-90-1 | (Methanesulfonylmethyl)benzene
Pack Size： 1g
Purity： 97%
in stock
$27.00 $19.00
Pack Size： 5g
Purity： 97%
in stock
$31.00 $22.00
Pack Size： 25g
Purity： 98%
in stock
$65.00 $45.00
Pack Size： 100g
Purity： 98%
in stock
$172.00 $120.00
Quantity
- +
Add to Card
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bulk Quotation Request
Technical Information
Catalog Number: AA003237
Chemical Name: (Methanesulfonylmethyl)benzene
CAS Number: 3112-90-1
Molecular Formula: C8H10O2S
Molecular Weight: 170.2288
MDL Number: MFCD00025074
SMILES: CS(=O)(=O)Cc1ccccc1
NSC Number: 409406
Properties
Form: Solid  
MP: 124℃  
Storage: Room Temperature;  
Complexity: 195  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 11  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 0.8  
Downstream Synthesis Route
3112-90-1    6624-04-0 

[1]Chang,Meng-Yang;Chen,Yi-Chia;Chan,Chieh-Kai[Tetrahedron,2014,vol.70,#13,p.2257-2263]

62696-04-2    36331-57-4    3112-90-1 

[1]GreenChemistry,2017,vol.19,p.112-116

36331-57-4    868-85-9    3112-90-1 

[1]Synthesis,2022,vol.54,p.153-160

Literature fold

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

Journal: Bioorganic & medicinal chemistry letters20101101

Title: 4-Amino derivatives of the Hsp90 inhibitor CCT018159.

Journal: Bioorganic & medicinal chemistry letters20060501

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