| CAS Number | 718615-92-0 |
| Catalog Number | AG00IMND(AGN-PC-00F69L) |
| Chemical Name | 4-Iodo-6-phenylthieno[2,3-d]pyrimidine |
| IUPAC Name | 4-iodo-6-phenylthieno[2,3-d]pyrimidine |
| InChI | InChI=1S/C12H7IN2S/c13-11-9-6-10(8-4-2-1-3-5-8)16-12(9)15-7-14-11/h1-7H |
| InChI Key | KFSCOHGEHTZQLL-UHFFFAOYSA-N |
| MDL Number | MFCD28040989 |
| Molecular Formula | C12H7IN2S |
| Molecular Weight | 338.1669 |
| SMILES | IC1=C(C=C(C2=CC=CC=C2)S3)C3=NC=N1 |
| Synonyms | 4-Iodo-6-phenylthieno[2,3-d]pyrimidine,
718615-92-0,
MFCD28040989,
ZINC36377678,
DS-7355,
AJ-92647,
AK152811,
AX8289163,
Thieno[2,3-d]pyrimidine, 4-iodo-6-phenyl-,
CID11739231,
2-iodo-8-phenyl-7-thia-3,5-diazabicyclo[4.3.0]nona-2,4,8,10-tetraene,
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| Complexity | 245 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 337.937g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 338.166g/mol |
| Monoisotopic Mass | 337.937g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 54A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number