| CAS Number | 90919-34-9 |
| Catalog Number | AG003I44 |
| Chemical Name | 3-(4-Chlorophenylthio)butyric acid |
| IUPAC Name | 3-(4-chlorophenyl)sulfanylbutanoic acid |
| InChI | InChI=1S/C10H11ClO2S/c1-7(6-10(12)13)14-9-4-2-8(11)3-5-9/h2-5,7H,6H2,1H3,(H,12,13) |
| InChI Key | DSCJEDOCSCNYAI-UHFFFAOYSA-N |
| MDL Number | MFCD16495868 |
| Molecular Formula | C10H11ClO2S |
| Molecular Weight | 230.7111 |
| SMILES | CC(SC1=CC=C(Cl)C=C1)CC(O)=O |
| Synonyms | 3-(4-Chlorophenylthio)Butyric Acid,
90919-34-9,
3-(4-chlorophenyl)sulfanylbutanoic Acid,
AC1NGD7J,
AC1Q1QYH,
CTK5G8627,
DTXSID40405434,
DSCJEDOCSCNYAI-UHFFFAOYSA-N,
3 (4-Chlorophenylthio)butyric acid,
3-(4-chlorophenylthio)butanoic acid,
MFCD00052470,
AKOS009158332,
MCULE-5685775413,
3-[(4-chlorophenyl)sulfanyl]butanoic acid,
TR-028524,
FT-0613660,
ST50406910,
I04-13542,
CID4673055,
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| Complexity | 191 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.017g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.706g/mol |
| Monoisotopic Mass | 230.017g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 62.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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Certificate of Analysis
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