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Home Carboxes 3996-29-0
3996-29-0,MFCD00034675
Catalog No.:AA003LPP

3996-29-0 | 4-Methyl phenyl thioacetic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$18.00   $13.00
- +
5g
95%
in stock  
$50.00   $35.00
- +
25g
95%
in stock  
$148.00   $104.00
- +
100g
95%
in stock  
$558.00   $390.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003LPP
Chemical Name:
4-Methyl phenyl thioacetic acid
CAS Number:
3996-29-0
Molecular Formula:
C9H10O2S
Molecular Weight:
182.2395
MDL Number:
MFCD00034675
SMILES:
OC(=O)CSc1ccc(cc1)C
NSC Number:
75126
Properties
Properties
 
BP:
323.2±25.0 °C(Predicted)  
Form:
Solid  
MP:
79-83 °C(lit.)  
Storage:
Room Temperature;  

Computed Properties
 
Complexity:
151  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
XLogP3:
2.2  

Literature

Title: catena-Poly[[diaqua-bis-[2-(4-tolyl-sulfanyl)acetato-κO]manganese(II)]-μ-4,4'-bipyridine-κN:N'].

Journal: Acta crystallographica. Section E, Structure reports online 20110501

Title: catena-Poly[[diaqua-[(4-tolyl-sulfan-yl)acetato-κO]cadmium(II)]-μ-4,4'-bipyridine-κN:N'].

Journal: Acta crystallographica. Section E, Structure reports online 20080901

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SDS
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Tags:3996-29-0 Molecular Formula|3996-29-0 MDL|3996-29-0 SMILES|3996-29-0 4-Methyl phenyl thioacetic acid