| CAS Number | 142038-16-2 |
| Catalog Number | AG001HLS(AGN-PC-003960) |
| Chemical Name | 4-[(4-Fluorophenyl)thio]butan-2-one |
| IUPAC Name | 4-(4-fluorophenyl)sulfanylbutan-2-one |
| InChI | InChI=1S/C10H11FOS/c1-8(12)6-7-13-10-4-2-9(11)3-5-10/h2-5H,6-7H2,1H3 |
| InChI Key | OBEQFWIFNCWDBF-UHFFFAOYSA-N |
| MDL Number | MFCD08691520 |
| Molecular Formula | C10H11FOS |
| Molecular Weight | 198.2571 |
| SMILES | O=C(C)CCSC1=CC=C(C=C1)F |
| Synonyms | 142038-16-2,
4-[(4-FLUOROPHENYL)THIO]BUTAN-2-ONE,
4-((4-Fluorophenyl)thio)butan-2-one,
SCHEMBL16465461,
CTK4C2907,
DTXSID00566651,
OBEQFWIFNCWDBF-UHFFFAOYSA-N,
CHEMBRDG-BB 4011074,
4-(4-fluorophenylthio)butan-2-one,
MFCD08691520,
ZINC19089328,
AKOS009029502,
4-[(4-Fluorophenyl)thio]-2-butanone,
2-Butanone, 4-[(4-fluorophenyl)thio]-,
AJ-71165,
4-[(4-Fluorophenyl)sulfanyl]butan-2-one,
Y-4195,
4-[(4-fluorophenyl)thio]butan-2-one, AldrichCPR,
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| Complexity | 164 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.255g/mol |
| Monoisotopic Mass | 198.051g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 42.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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