| CAS Number | 1019522-88-3 |
| Catalog Number | AG01A82U(AGN-PC-0WOCWN) |
| Chemical Name | 3-[(pyridin-2-ylsulfanyl)methyl]aniline |
| IUPAC Name | 3-(pyridin-2-ylsulfanylmethyl)aniline |
| InChI | InChI=1S/C12H12N2S/c13-11-5-3-4-10(8-11)9-15-12-6-1-2-7-14-12/h1-8H,9,13H2 |
| InChI Key | WHWVLAXMWKZUPO-UHFFFAOYSA-N |
| MDL Number | MFCD11134012 |
| Molecular Formula | C12H12N2S |
| Molecular Weight | 216.3021 |
| SMILES | NC1=CC(CSC2=NC=CC=C2)=CC=C1 |
| Synonyms | 3-[(pyridin-2-ylsulfanyl)methyl]aniline,
1019522-88-3,
AC1Q51OB,
CTK7D9038,
ZINC19846328,
AKOS000213441,
NE26559,
EN300-60575,
|
| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.302g/mol |
| Monoisotopic Mass | 216.072g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 64.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number