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52758-87-9,MFCD02755445
Catalog No.:AA00DB99

52758-87-9 | 2-[(Pyridin-4-ylmethyl)sulfanyl]acetic acid

This product is typically in stock,please click "Inquire" below or
contact us at [email protected] for pricing and availability information.
  • Technical Information
  • Properties
  • Literature
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Technical Information
Catalog Number:
AA00DB99
Chemical Name:
2-[(Pyridin-4-ylmethyl)sulfanyl]acetic acid
CAS Number:
52758-87-9
Molecular Formula:
C8H9NO2S
Molecular Weight:
183.2276
MDL Number:
MFCD02755445
SMILES:
OC(=O)CSCc1ccncc1
Properties
Computed Properties
 
Complexity:
146  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
0.9  

Literature
Quotation Request
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SDS
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1504095-39-9

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 2097909-07-2

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Tags:52758-87-9 Molecular Formula|52758-87-9 MDL|52758-87-9 SMILES|52758-87-9 2-[(Pyridin-4-ylmethyl)sulfanyl]acetic acid
Catalog No.: AA00DB99
52758-87-9,MFCD02755445
52758-87-9 | 2-[(Pyridin-4-ylmethyl)sulfanyl]acetic acid
This product is typically in stock,please click "Inquire" below or contact us at [email protected]for pricing and availability information.
Inquire
Technical Information
Catalog Number: AA00DB99
Chemical Name: 2-[(Pyridin-4-ylmethyl)sulfanyl]acetic acid
CAS Number: 52758-87-9
Molecular Formula: C8H9NO2S
Molecular Weight: 183.2276
MDL Number: MFCD02755445
SMILES: OC(=O)CSCc1ccncc1
Properties
Complexity: 146  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 12  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 4  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 0.9  
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Historical Records
943437-98-7
943437-98-7
1504095-39-9
1504095-39-9
673491-40-2
673491-40-2
2097909-07-2
2097909-07-2
2034463-94-8
2034463-94-8
845803-23-8
845803-23-8
Submit
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