1-(Cyclopropylmethyl)-3-methyl-6-sulfanylidene-1,3-diazinane-2,4-dione
Completing data — refresh the page later to see the latest
Basic information
- CAS
491615-30-6- Standard SMILES
CN1C(=O)CC(=S)N(CC2CC2)C1=O- InChIKey
NHASILQGZHSTHS-UHFFFAOYSA-N- Molecular formula
- C9H12N2O2S
- Average molar mass
- 212.27 g/mol
- Monoisotopic mass
- 212.0619488
Names & identifiers
- Preferred name
- 1-(Cyclopropylmethyl)-3-methyl-6-sulfanylidene-1,3-diazinane-2,4-dione
- IUPAC
- 1-(cyclopropylmethyl)-3-methyl-6-sulfanylidene-1,3-diazinane-2,4-dione
- English name
- 2,4(1H,3H)-Pyrimidinedione, 1-(cyclopropylmethyl)dihydro-3-methyl-6-thioxo-
- Molecular formula
- C9H12N2O2S
- Molecular weight
- 212.27
Names & synonyms
491615-30-62,4(1H,3H)-Pyrimidinedione, 1-(cyclopropylmethyl)dihydro-3-methyl-6-thioxo-
Database identifiers
- CAS
491615-30-6- PubChem CID
- 45118666
Properties
Computed structural propertiesFilling in
- XLogP
- 0.5
- Topological polar surface area
- 72.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 312
Physicochemical properties
- Boiling point
- 302.3 · 302.3±25.0 °C(Predicted)
- Density
- 1.38 · 1.38±0.1 g/cm3(Predicted)
- pka
- -2.61 · -2.61±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…