| CAS Number | 1095514-79-6 |
| Catalog Number | AG01AB7M(AGN-PC-0WO9H0) |
| Chemical Name | 3-[(3-aminopyridin-4-yl)sulfanyl]propan-1-ol |
| IUPAC Name | 3-(3-aminopyridin-4-yl)sulfanylpropan-1-ol |
| InChI | InChI=1S/C8H12N2OS/c9-7-6-10-3-2-8(7)12-5-1-4-11/h2-3,6,11H,1,4-5,9H2 |
| InChI Key | GJTYFRPFRJIZPX-UHFFFAOYSA-N |
| MDL Number | MFCD11635271 |
| Molecular Formula | C8H12N2OS |
| Molecular Weight | 184.2587 |
| SMILES | NC1=C(SCCCO)C=CN=C1 |
| Synonyms | 3-[(3-aminopyridin-4-yl)sulfanyl]propan-1-ol,
1095514-79-6,
1-Propanol, 3-[(3-amino-4-pyridinyl)thio]-,
AC1Q51AQ,
ZINC37116118,
AKOS009442708,
MCULE-4898811094,
NE52813,
EN300-70703,
Z1263820331,
|
| Complexity | 124 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.257g/mol |
| Monoisotopic Mass | 184.067g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 84.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number