Basic information
- CAS
312290-69-0- Standard SMILES
CCC1(OC)CC(c2ccccc2)NC(=S)N1- InChIKey
DCGRAZXFTQENEE-UHFFFAOYSA-N- Molecular formula
- C13H18N2OS
- Average molar mass
- 250.36 g/mol
- Monoisotopic mass
- 250.11398438
Names & identifiers
- Preferred name
- 4-Ethyl-4-methoxy-6-phenyl-1,3-diazinane-2-thione
- IUPAC
- 4-ethyl-4-methoxy-6-phenyl-1,3-diazinane-2-thione
Names & synonyms
ChemDiv1_025554Oprea1_7932754-ethyl-4-methoxy-6-phenyl-1,3-diazinane-2-thioneHMS659J124-Ethyltetrahydro-4-methoxy-6-phenyl-2(1H)-pyrimidinethioneDTXSID901189139MFCD01414642AKOS001734944312290-69-0AG-205/12080006SR-01000520291SR-01000520291-1
Show more names
4-ethyl-4-methoxy-6-phenyltetrahydro-2(1H)-pyrimidinethione
Database identifiers
- CAS
312290-69-0- PubChem CID
- 3910046
- DTXSID
DTXSID901189139
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 65.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 279
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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