Basic information
- CAS
676612-70-7- Standard SMILES
CCN1CNC(=S)N(c2ccccc2)C1- InChIKey
UBDAFFLCYTVJAS-UHFFFAOYSA-N- Molecular formula
- C11H15N3S
- Average molar mass
- 221.32 g/mol
- Monoisotopic mass
- 221.09866866
Names & identifiers
- Preferred name
- 5-Ethyl-1-phenyl-1,3,5-triazinane-2-thione
- IUPAC
- 5-ethyl-1-phenyl-1,3,5-triazinane-2-thione
- English name
- 1,3,5-Triazine-2(1H)-thione,5-ethyltetrahydro-1-phenyl-(9CI)
- Molecular formula
- C11H15N3S
- Molecular weight
- 221.32
Names & synonyms
5-ethyl-1-phenyl-1,3,5-triazinane-2-thione676612-70-7ChemDiv3_005120HMS1487I16CCG-23584STK386771AKOS001690242IDI1_023030DB-278831ST50889255SR-010000850145-ethyl-1-phenyl-1,3,5-triazaperhydroine-2-thione
Show more names
1,3,5-Triazine-2(1H)-thione,5-ethyltetrahydro-1-phenyl-(9CI)
SR-01000085014-1BRD-K81154868-001-01-11,3,5-TRIAZINE-2(1H)-THIONE, 5-ETHYLTETRAHYDRO-1-PHENYL-
Database identifiers
- CAS
676612-70-7- PubChem CID
- 751644
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 226
Chemistry & industry
Suppliers2 total
CHEMSTEP[email protected]
Interbioscreen Ltd.[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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