| CAS Number | 137375-82-7 |
| Catalog Number | AG00137B(AGN-PC-00L6R7) |
| Chemical Name | 3-(Ethylsulfinyl)propanoic acid |
| IUPAC Name | 3-ethylsulfinylpropanoic acid |
| InChI | InChI=1S/C5H10O3S/c1-2-9(8)4-3-5(6)7/h2-4H2,1H3,(H,6,7) |
| InChI Key | JINZVIZTKIBBOB-UHFFFAOYSA-N |
| MDL Number | MFCD09864544 |
| Molecular Formula | C5H10O3S |
| Molecular Weight | 150.1961 |
| SMILES | C(O)(=O)CCS(CC)=O |
| Synonyms | 3-(ethylsulfinyl)propanoic acid,
137375-82-7,
3-(ethanesulfinyl)propanoic acid,
3-(ethylsulphinyl)propionic acid,
SCHEMBL9325348,
CTK4C0768,
DTXSID20522774,
ALBB-004314,
Propanoic acid, 3-(ethylsulfinyl)-,
4032AD,
MFCD09864544,
STK503098,
AKOS005171351,
MCULE-4027618720,
FT-0679004,
Y-5868,
I04-4006,
J-007015,
3- propanoicacid,
C5H10O3S,
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| Complexity | 121 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 150.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 150.192g/mol |
| Monoisotopic Mass | 150.035g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 73.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number