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99198-96-6,MFCD18783158
Catalog No.:AA005SXB

99198-96-6 | Ethyl 3-(thiophen-3-yl)propanoate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$211.00   $148.00
- +
5g
98%
in stock  
$610.00 $427.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA005SXB
Chemical Name:
Ethyl 3-(thiophen-3-yl)propanoate
CAS Number:
99198-96-6
Molecular Formula:
C9H12O2S
Molecular Weight:
184.2554
MDL Number:
MFCD18783158
SMILES:
CCOC(=O)CCc1cscc1
Properties
Properties
 
BP:
250.0±15.0°C at 760 mmHg  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
148  
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:
3  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
5  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.1  

Downstream Synthesis Route

[1]MolecularCrystalsandLiquidCrystalsScienceandTechnology,SectionA:MolecularCrystalsandLiquidCrystals,1994,vol.246,p.29-32

[2]HelveticaChimicaActa,1995,vol.78,p.1887-1893

[3]ACSMedicinalChemistryLetters,2022,vol.13,p.92-98

[1]Phosphorus,SulfurandSiliconandtheRelatedElements,1994,vol.91,p.93-102

[2]InternationalJournalofMassSpectrometry,2012,vol.316-318,p.206-215

[1]Patent:US2006/52426,2006,A1.Locationinpatent:Page/Pagecolumn10

Literature
Quotation Request
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SDS
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Tags:99198-96-6 Molecular Formula|99198-96-6 MDL|99198-96-6 SMILES|99198-96-6 Ethyl 3-(thiophen-3-yl)propanoate
Catalog No.: AA005SXB
99198-96-6,MFCD18783158
99198-96-6 | Ethyl 3-(thiophen-3-yl)propanoate
Pack Size： 1g
Purity： 98%
in stock
$211.00 $148.00
Pack Size： 5g
Purity： 98%
in stock
$610.00 $427.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA005SXB
Chemical Name: Ethyl 3-(thiophen-3-yl)propanoate
CAS Number: 99198-96-6
Molecular Formula: C9H12O2S
Molecular Weight: 184.2554
MDL Number: MFCD18783158
SMILES: CCOC(=O)CCc1cscc1
Properties
BP: 250.0±15.0°C at 760 mmHg  
Storage: Keep in dry area;2-8℃;  
Complexity: 148  
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: 3  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 5  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.1  
Downstream Synthesis Route
99198-96-6    20905-98-0 

[1]MolecularCrystalsandLiquidCrystalsScienceandTechnology,SectionA:MolecularCrystalsandLiquidCrystals,1994,vol.246,p.29-32

[2]HelveticaChimicaActa,1995,vol.78,p.1887-1893

[3]ACSMedicinalChemistryLetters,2022,vol.13,p.92-98

16378-06-6    64-17-5    99198-96-6 

[1]Phosphorus,SulfurandSiliconandtheRelatedElements,1994,vol.91,p.93-102

[2]InternationalJournalofMassSpectrometry,2012,vol.316-318,p.206-215

99198-96-6    16378-06-6 

[1]Patent:US2006/52426,2006,A1.Locationinpatent:Page/Pagecolumn10

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