| CAS Number | 869811-23-4 |
| Catalog Number | AG0039CF(AGN-PC-0WAM1Q) |
| Chemical Name | bis[(4-fluorophenyl)methyl]trisulfane |
| IUPAC Name | 1-fluoro-4-[[(4-fluorophenyl)methyltrisulfanyl]methyl]benzene |
| InChI | InChI=1S/C14H12F2S3/c15-13-5-1-11(2-6-13)9-17-19-18-10-12-3-7-14(16)8-4-12/h1-8H,9-10H2 |
| InChI Key | XCOWUOOCXCXCNS-UHFFFAOYSA-N |
| MDL Number | MFCD22572761 |
| Molecular Formula | C14H12F2S3 |
| Molecular Weight | 314.4369 |
| SMILES | FC1=CC=C(C=C1)CSSSCC1=CC=C(C=C1)F |
| Synonyms | bis(4-fluorobenzyl)trisulfide,
fluorapacin,
Bis[(4-fluorophenyl)methyl] trisulfide,
869811-23-4,
Fluorapacin,
bis(4-fluorobenzyl)trisulfide,
CHEMBL215685,
SCHEMBL1740610,
MFCD22572761,
AKOS030228713,
KS-0000002L,
CID11638228,
1-fluoro-4-[(4-fluorophenyl)methylsulfanyldisulfanylmethyl]benzene,
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| Complexity | 213 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 314.007g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 314.427g/mol |
| Monoisotopic Mass | 314.007g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 75.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number