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42404-23-9,MFCD04055859
Catalog No.:AA00C8RN

42404-23-9 | 2-[(4-Methylphenyl)thio]ethanamine

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$81.00   $57.00
- +
5g
95%
in stock  
$321.00   $225.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00C8RN
Chemical Name:
2-[(4-Methylphenyl)thio]ethanamine
CAS Number:
42404-23-9
Molecular Formula:
C9H13NS
Molecular Weight:
167.2712
MDL Number:
MFCD04055859
SMILES:
CC1=CC=C(C=C1)SCCN
Properties
Computed Properties
 
Complexity:
97.7  
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:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.9  

Downstream Synthesis Route

[1]Patent:US2009/227788,2009,A1.Locationinpatent:Page/Pagecolumn20

[2]JournalofOrganicChemistry,2001,vol.66,p.5590-5594

Literature
Quotation Request
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SDS
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Tags:42404-23-9 Molecular Formula|42404-23-9 MDL|42404-23-9 SMILES|42404-23-9 2-[(4-Methylphenyl)thio]ethanamine
Catalog No.: AA00C8RN
42404-23-9,MFCD04055859
42404-23-9 | 2-[(4-Methylphenyl)thio]ethanamine
Pack Size： 1g
Purity： 95%
in stock
$81.00 $57.00
Pack Size： 5g
Purity： 95%
in stock
$321.00 $225.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00C8RN
Chemical Name: 2-[(4-Methylphenyl)thio]ethanamine
CAS Number: 42404-23-9
Molecular Formula: C9H13NS
Molecular Weight: 167.2712
MDL Number: MFCD04055859
SMILES: CC1=CC=C(C=C1)SCCN
Properties
Complexity: 97.7  
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: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.9  
Downstream Synthesis Route
870-24-6    106-45-6    42404-23-9 

[1]Patent:US2009/227788,2009,A1.Locationinpatent:Page/Pagecolumn20

[2]JournalofOrganicChemistry,2001,vol.66,p.5590-5594

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Submit
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