| CAS Number | 673-09-6 |
| Catalog Number | AG01A1J4(AGN-PC-006R1V) |
| Chemical Name | 4-(Pyridin-4-ylsulfanyl)aniline |
| IUPAC Name | 4-pyridin-4-ylsulfanylaniline |
| InChI | InChI=1S/C11H10N2S/c12-9-1-3-10(4-2-9)14-11-5-7-13-8-6-11/h1-8H,12H2 |
| InChI Key | DYOBZIUDPDIPKN-UHFFFAOYSA-N |
| MDL Number | MFCD08447091 |
| Molecular Formula | C11H10N2S |
| Molecular Weight | 202.2755 |
| SMILES | NC1=CC=C(SC2=CC=NC=C2)C=C1 |
| Synonyms | 4-(pyridin-4-ylsulfanyl)aniline,
673-09-6,
4-(4-pyridinylthio)aniline,
4-(pyridin-4-ylthio)aniline,
SCHEMBL177955,
DYOBZIUDPDIPKN-UHFFFAOYSA-N,
ZINC8764116,
AKOS010615108,
MCULE-7195990311,
NE13916,
A1-11449,
F2108-0086,
4-pyridin-4-ylsulfanylaniline,
CID11321628,
|
| Complexity | 161 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 202.275g/mol |
| Monoisotopic Mass | 202.056g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 64.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number