| CAS Number | 1356016-35-7 |
| Catalog Number | AG00HU80 |
| Chemical Name | 2-Chlorothieno[3,2-D]pyrimidine-7-carbaldehyde |
| IUPAC Name | 2-chlorothieno[3,2-d]pyrimidine-7-carbaldehyde |
| InChI | InChI=1S/C7H3ClN2OS/c8-7-9-1-5-6(10-7)4(2-11)3-12-5/h1-3H |
| InChI Key | LVFUVLSBWJJAGC-UHFFFAOYSA-N |
| MDL Number | MFCD20259391 |
| Molecular Formula | C7H3ClN2OS |
| Molecular Weight | 198.6295 |
| SMILES | ClC1=NC2=C(SC=C2C=O)C=N1 |
| Synonyms | 2-CHLOROTHIENO[3,2-D]PYRIMIDINE-7-CARBALDEHYDE,
1356016-35-7,
SCHEMBL359942,
DTXSID70857184,
LVFUVLSBWJJAGC-UHFFFAOYSA-N,
MFCD20259391,
ZINC91691381,
AS-36468,
CS-0087928,
Chlorothieno[3,2-d]pyrimidine-7-carbaldehyde,
X-3489,
2-chloro-thieno[3,2-d]pyrimidine-7-carbaldehyde,
Thieno[3,2-d]pyrimidine-7-carboxaldehyde, 2-chloro-,
|
| Complexity | 192 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.965g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.624g/mol |
| Monoisotopic Mass | 197.965g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 71.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number