| CAS Number | 1334500-01-4 |
| Catalog Number | AG007NFE(AGN-PC-0K4N4D) |
| Chemical Name | 3-[4-(Methylsulfanyl)phenyl]phenylacetic acid |
| IUPAC Name | 2-[3-(4-methylsulfanylphenyl)phenyl]acetic acid |
| InChI | InChI=1S/C15H14O2S/c1-18-14-7-5-12(6-8-14)13-4-2-3-11(9-13)10-15(16)17/h2-9H,10H2,1H3,(H,16,17) |
| InChI Key | YOHAYEFGZFABAN-UHFFFAOYSA-N |
| MDL Number | MFCD05981728 |
| Molecular Formula | C15H14O2S |
| Molecular Weight | 258.3355 |
| SMILES | CSc1ccc(cc1)c1cccc(c1)CC(=O)O |
| Synonyms | 1334500-01-4,
2-(4'-(Methylthio)-[1,1'-biphenyl]-3-yl)acetic acid,
3-[4-(Methylsulfanyl)phenyl]phenylacetic acid,
ACMC-209bs9,
CTK8B0189,
DTXSID60362651,
ZINC1257598,
6084AA,
ANW-19543,
MFCD05981728,
AKOS015893145,
AJ-25233,
AX8243071,
TC-108288,
B-7158,
I04-2710,
C15H14O2S,
2-(4'-(Methylthio)-[1,1'-biphenyl]-3-yl)aceticacid,
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| Complexity | 272 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.335g/mol |
| Monoisotopic Mass | 258.071g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 62.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number