| CAS Number | 1155610-54-0 |
| Catalog Number | AG01AJWS(AGN-PC-0WO0BK) |
| Chemical Name | 3-(2-hydroxyethyl)-3H,4H-thieno[3,2-d]pyrimidin-4-one |
| IUPAC Name | 3-(2-hydroxyethyl)thieno[3,2-d]pyrimidin-4-one |
| InChI | InChI=1S/C8H8N2O2S/c11-3-2-10-5-9-6-1-4-13-7(6)8(10)12/h1,4-5,11H,2-3H2 |
| InChI Key | IHIQFJGZEZXVNG-UHFFFAOYSA-N |
| MDL Number | MFCD12180314 |
| Molecular Formula | C8H8N2O2S |
| Molecular Weight | 196.2263 |
| SMILES | OCCN1C(=O)C2=C(C=CS2)N=C1 |
| Synonyms | 3-(2-hydroxyethyl)-3H,4H-thieno[3,2-d]pyrimidin-4-one,
1155610-54-0,
ZINC35200207,
AKOS009223701,
MCULE-2395548609,
NE28100,
EN300-82103,
Z335931386,
|
| Complexity | 244 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.224g/mol |
| Monoisotopic Mass | 196.031g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 81.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number