2D Chemical StructureDatabase ID 39870504
No renderable structure data available
SMILES
CN1C(=O)C2=C(C=CS2)N3C1=NN=C3CClStructure data verified · Database ID 39870504
Chemical Intermediate
12-(chloromethyl)-8-methyl-5-thia-1,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,9,11-tetraen-7-one
CAS 1114822-79-5Product ID 44110
| Intermediates | 12-(chloromethyl)-8-methyl-5-thia-1,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,9,11-tetraen-7-one |
|---|---|
| IUPAC Name | — |
| CAS Number | 1114822-79-5 |
| Database ID | 39870504 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
12-(chloromethyl)-8-methyl-5-thia-1,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,9,11-tetraen-7-one
12-(chloromethyl)-8-methyl-5-thia-1,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,9,11-tetraen-7-one (CAS 1114822-79-5) product identity, structure identifiers and related reaction data for chemical intermediate research and sourcing review.
CAS Number1114822-79-5
Database ID39870504
Molecular Formula—
Updated2023-01-08
Potential Applications
Potential Applications
For professional research and industrial use only
Database ID 39870504
Computed Properties
Exact Mass—
XLogP—
Topological Polar Surface Area—
Hydrogen Bond Donors—
Hydrogen Bond Acceptors—
Rotatable Bonds—
- IUPAC Name
- —
- InChIKey
- —
- SMILES
- CN1C(=O)C2=C(C=CS2)N3C1=NN=C3CCl
- InChI
- —
Safety Notice
Safety & Notes
For professional research and industrial use only. Review the supplier safety data sheet before handling.
PubChem References
Public References
These sources are listed in the compound's public database record.
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CAS 1114822-79-512-(chloromethyl)-8-methyl-5-thia-1,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,9,11-tetraen-7-one
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