| CAS Number | 1030829-17-4 |
| Catalog Number | AG00IXKK(AGN-PC-0WB2N4) |
| Chemical Name | [2-(Propan-2-ylsulfanyl)pyridin-3-yl]methanol |
| IUPAC Name | (2-propan-2-ylsulfanylpyridin-3-yl)methanol |
| InChI | InChI=1S/C9H13NOS/c1-7(2)12-9-8(6-11)4-3-5-10-9/h3-5,7,11H,6H2,1-2H3 |
| InChI Key | FZZSZGFANCQTOO-UHFFFAOYSA-N |
| MDL Number | MFCD28337491 |
| Molecular Formula | C9H13NOS |
| Molecular Weight | 183.2706 |
| SMILES | S(C1(=NC=CC=C1CO))C(C)C |
| Synonyms | [2-(propan-2-ylsulfanyl)pyridin-3-yl]methanol,
1030829-17-4,
(2-(isopropylthio)pyridin-3-yl)methanol,
[2-(isopropylthio)pyridin-3-yl]methanol,
SCHEMBL1584954,
FZZSZGFANCQTOO-UHFFFAOYSA-N,
AKOS026675652,
ZINC116591828,
SS-3811,
KS-00002B24,
(2-isopropylsulfanyl-pyridin-3-yl)-methanol,
|
| Complexity | 130 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 183.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 183.269g/mol |
| Monoisotopic Mass | 183.072g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 58.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number