| CAS Number | 347194-01-8 |
| Catalog Number | AG01BRXP |
| Chemical Name | 3-(pyridin-2-ylsulfanyl)propan-1-ol |
| IUPAC Name | 3-pyridin-2-ylsulfanylpropan-1-ol |
| InChI | InChI=1S/C8H11NOS/c10-6-3-7-11-8-4-1-2-5-9-8/h1-2,4-5,10H,3,6-7H2 |
| InChI Key | PEGJUTOPVJLXFZ-UHFFFAOYSA-N |
| MDL Number | MFCD12187012 |
| Molecular Formula | C8H11NOS |
| Molecular Weight | 169.2440 |
| SMILES | OCCCSC1=NC=CC=C1 |
| Synonyms | 3-(PYRIDIN-2-YLSULFANYL)PROPAN-1-OL,
347194-01-8,
SCHEMBL679871,
PEGJUTOPVJLXFZ-UHFFFAOYSA-N,
3-(2-pyridylsulfanyl)-1-propanol,
ZINC35650376,
AKOS009562510,
|
| Complexity | 100 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 169.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 169.242g/mol |
| Monoisotopic Mass | 169.056g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 58.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number