| CAS Number | 5633-55-6 |
| Catalog Number | AG00EFPF(AGN-PC-006ILY) |
| Chemical Name | 4-(Phenylsulfanyl)phenol |
| IUPAC Name | 4-phenylsulfanylphenol |
| InChI | InChI=1S/C12H10OS/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9,13H |
| InChI Key | XAYCNCYFKLSMGR-UHFFFAOYSA-N |
| MDL Number | MFCD01151738 |
| Molecular Formula | C12H10OS |
| Molecular Weight | 202.2722 |
| SMILES | C1(=CC=CC=C1)SC1=CC=C(C=C1)O |
| Synonyms | 4-(phenylthio)phenol,
5633-55-6,
4-(phenylsulfanyl)phenol,
4-HYDROXYPHENYL PHENYL SULFIDE,
Phenol, 4-(phenylthio)-,
4-Hydroxy-diphenylsulfide,
SCHEMBL543922,
CTK1F4855,
(4-hydroxyphenyl) phenyl sulfide,
DTXSID50461925,
XAYCNCYFKLSMGR-UHFFFAOYSA-N,
ZINC5604184,
4-Phenylthiophenol,
4-phenylsulfanylphenol,
CID11310195,
19813-90-2,
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| Complexity | 158 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 202.271g/mol |
| Monoisotopic Mass | 202.045g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 45.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number