2H-1,3,5-Thiadiazine-2-thione, tetrahydro-5-ethyl-3-(phenylmethyl)-
Basic information
- CAS
23515-00-6- Standard SMILES
CCN1CSC(=S)N(Cc2ccccc2)C1- InChIKey
DJCAGMWMFPMXHO-UHFFFAOYSA-N- Molecular formula
- C12H16N2S2
- Average molar mass
- 252.4 g/mol
- Monoisotopic mass
- 252.07549087
Names & identifiers
- Preferred name
- 2H-1,3,5-Thiadiazine-2-thione, tetrahydro-5-ethyl-3-(phenylmethyl)-
- IUPAC
- 3-benzyl-5-ethyl-1,3,5-thiadiazinane-2-thione
Names & synonyms
23515-00-6BRN 10783202H-1,3,5-Thiadiazine-2-thione, tetrahydro-5-ethyl-3-(phenylmethyl)-2H-1,3,5-Thiadiazine-2-thione, tetrahydro-3-benzyl-5-ethyl-DTXSID101780825-Ethyl-3-(phenylmethyl)tetrahydro-2H-1,3,5-thiadiazine-2-thioneTetrahydro-5-ethyl-3-(phenylmethyl)-2H-1,3,5-thiadiazine-2-thioneNSC 246982RefChem:267765DTXCID401005733-benzyl-5-ethyl-1,3,5-thiadiazinane-2-thioneNSC246982
Show more names
ChemDiv3_012837Oprea1_426352MLS001200964SCHEMBL4890766CHEMBL1482808HMS1509H11HMS2853B04CCG-34012
Database identifiers
- CAS
23515-00-6- PubChem CID
- 99602
- DTXSID
DTXSID10178082- ChEMBL
CHEMBL1482808
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 63.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 239
Experimental & physicochemical properties
Solubility37.5 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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