| CAS Number | 17619-11-3 |
| Catalog Number | AG0024GU(AGN-PC-0NIHUS) |
| Chemical Name | Benzenamine, 4,4'-[1,4-phenylenebis(thio)]bis- |
| IUPAC Name | 4-[4-(4-aminophenyl)sulfanylphenyl]sulfanylaniline |
| InChI | InChI=1S/C18H16N2S2/c19-13-1-5-15(6-2-13)21-17-9-11-18(12-10-17)22-16-7-3-14(20)4-8-16/h1-12H,19-20H2 |
| InChI Key | FPVZSJGTRGMMCI-UHFFFAOYSA-N |
| MDL Number | MFCD00409012 |
| Molecular Formula | C18H16N2S2 |
| Molecular Weight | 324.4630 |
| SMILES | Nc1ccc(cc1)Sc1ccc(cc1)Sc1ccc(cc1)N |
| Synonyms | 17619-11-3,
Benzenamine, 4,4'-[1,4-phenylenebis(thio)]bis-,
2SPDA,
SCHEMBL1098379,
CTK0E3805,
DTXSID90487265,
1,4-bis(4'-aminophenylthio)-benzene,
AKOS030581400,
CS-0069232,
4,4'-(1,4-Phenylenebis(sulfanediyl))dianiline,
4-[4-(4-aminophenyl)sulfanylphenyl]sulfanylaniline,
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| Complexity | 283 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 324.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 324.46g/mol |
| Monoisotopic Mass | 324.075g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 103A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number