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425607-97-2,MFCD02219318
Catalog No.:AA00C8I7

425607-97-2 | [(3,5-DIMETHYLBENZYL)THIO]ACETIC ACID

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$81.00   $57.00
- +
5g
95%
in stock  
$321.00   $225.00
- +
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Technical Information
Catalog Number:
AA00C8I7
Chemical Name:
[(3,5-DIMETHYLBENZYL)THIO]ACETIC ACID
CAS Number:
425607-97-2
Molecular Formula:
C11H14O2S
Molecular Weight:
210.2927
MDL Number:
MFCD02219318
SMILES:
OC(=O)CSCc1cc(C)cc(c1)C
Properties
Computed Properties
 
Complexity:
184  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
4  
XLogP3:
2.7  

Literature
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SDS
Tags:425607-97-2 Molecular Formula|425607-97-2 MDL|425607-97-2 SMILES|425607-97-2 [(3,5-DIMETHYLBENZYL)THIO]ACETIC ACID