| CAS Number | 1557247-28-5 |
| Catalog Number | AG01C73L |
| Chemical Name | 2-Thiaspiro[3.5]nonan-7-one |
| IUPAC Name | 2-thiaspiro[3.5]nonan-7-one |
| InChI | InChI=1S/C8H12OS/c9-7-1-3-8(4-2-7)5-10-6-8/h1-6H2 |
| InChI Key | CVEPOMCOBKPWOE-UHFFFAOYSA-N |
| MDL Number | MFCD30002863 |
| Molecular Formula | C8H12OS |
| Molecular Weight | 156.2453 |
| SMILES | O=C(CC2)CCC12CSC1 |
| Synonyms | 2-thiaspiro[3.5]nonan-7-one,
1557247-28-5,
SCHEMBL15565627,
CVEPOMCOBKPWOE-UHFFFAOYSA-N,
AKOS026716999,
ZINC144212158,
CS-0067416,
F2147-4309,
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| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 156.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 156.243g/mol |
| Monoisotopic Mass | 156.061g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 42.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number