| CAS Number | 923853-12-7 |
| Catalog Number | AG019K5S |
| Chemical Name | 2-(furan-2-yl)quinazoline-4-thiol |
| IUPAC Name | 2-(furan-2-yl)-1H-quinazoline-4-thione |
| InChI | InChI=1S/C12H8N2OS/c16-12-8-4-1-2-5-9(8)13-11(14-12)10-6-3-7-15-10/h1-7H,(H,13,14,16) |
| InChI Key | DRNQQXJMZSKYFQ-UHFFFAOYSA-N |
| MDL Number | MFCD08444442 |
| Molecular Formula | C12H8N2OS |
| Molecular Weight | 228.2697 |
| SMILES | SC1=C2C(C=CC=C2)=NC(C2OC=CC=2)=N1 |
| Synonyms | 2-(furan-2-yl)quinazoline-4-thiol,
2-(2-furyl)quinazoline-4-thiol,
923853-12-7,
AC1Q7GA7,
CTK8A8373,
ZINC12505091,
AKOS033783035,
MCULE-2246706434,
NE24683,
EN300-25634,
AB00983383-01,
Z217102810,
|
| Complexity | 329 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.269g/mol |
| Monoisotopic Mass | 228.036g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 69.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number