| CAS Number | 733031-24-8 |
| Catalog Number | AG019IW5 |
| Chemical Name | 2-(1-chloroethyl)-5-(thiophen-2-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one |
| IUPAC Name | 2-(1-chloroethyl)-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one |
| InChI | InChI=1S/C12H9ClN2OS2/c1-6(13)10-14-11(16)9-7(5-18-12(9)15-10)8-3-2-4-17-8/h2-6H,1H3,(H,14,15,16) |
| InChI Key | AKCGLKHQCNFVEQ-UHFFFAOYSA-N |
| MDL Number | MFCD04635934 |
| Molecular Formula | C12H9ClN2OS2 |
| Molecular Weight | 296.7957 |
| SMILES | CC(C1NC(=O)C2=C(SC=C2C2SC=CC=2)N=1)Cl |
| Synonyms | 2-(1-chloroethyl)-5-(thiophen-2-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one,
733031-24-8,
2-(1-chloroethyl)-5-thien-2-ylthieno[2,3-d]pyrimidin-4(3H)-one,
AC1MVK9V,
AC1Q2B04,
CTK6A6075,
AKOS000117036,
AKOS017268192,
MCULE-7014763894,
NE18993,
EN300-07871,
SR-01000049305,
SR-01000049305-1,
2-(1-chloroethyl)-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one,
ZINC03336160,
CID3734227,
|
| Complexity | 390 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 295.984g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 296.787g/mol |
| Monoisotopic Mass | 295.984g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 97.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number