Basic information
- CAS
67196-44-5- Standard SMILES
CC1=C(C)CC2(C(=O)NC(=S)NC2=O)C(C)C1- InChIKey
MPUNOTZOFTXVOA-UHFFFAOYSA-N- Molecular formula
- C12H16N2O2S
- Average molar mass
- 252.33 g/mol
- Monoisotopic mass
- 252.09324893
Names & identifiers
- Preferred name
- 2,4-Diazaspiro(5.5)undec-8-ene-1,3,5-trione, 3-thioxo-8,9,11-trimethyl-
- IUPAC
- 8,9,11-trimethyl-3-sulfanylidene-2,4-diazaspiro[5.5]undec-8-ene-1,5-dione
- English name
- 3-Thioxo-8,9,11-trimethyl-2,4-diazaspiro[5.5]undec-8-ene-1,5-dione
- Molecular formula
- C12H16N2O2S
- Molecular weight
- 252.33
Names & synonyms
67196-44-52,4-Diazaspiro(5.5)undec-8-ene-1,3,5-trione, 3-thioxo-8,9,11-trimethyl-RefChem:1059696MLS0027067292,4-Diazaspiro[5.5]undec-8-ene-1,5-dione, 8,9,11-trimethyl-3-thioxo-SMR001574129BRN 0224073NSC1174533-Thio-8,9,11-trimethyl-2,4-diazaspiro(5.5)undec-8-ene-1,3,5-trioneCHEMBL1866559BDBM91432cid_3034591
Show more names
3-Thioxo-8,9,11-trimethyl-2,4-diazaspiro[5.5]undec-8-ene-1,5-dione
8,9,11-trimethyl-3-sulfanylidene-2,4-diazaspiro[5.5]undec-8-ene-1,5-dioneNSC 117453NSC-1174532,5-dione, 8,9,11-trimethyl-3-thioxo-8,9,11-trimethyl-3-thioxo-2,4-diazaspiro[5.5]undec-8-ene-1,5-quinone
Database identifiers
- CAS
67196-44-5- PubChem CID
- 3034591
- ChEMBL
CHEMBL1866559- Nikkaji
- J68.518F
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 90.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 433
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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