Basic information
- CAS
3592-66-3- Standard SMILES
c1ccc(C2NCCCS2)cc1- InChIKey
DCEHAYVTEPURRJ-UHFFFAOYSA-N- Molecular formula
- C10H13NS
- Average molar mass
- 179.28 g/mol
- Monoisotopic mass
- 179.07687059
Names & identifiers
- Preferred name
- 2H-1,3-Thiazine, tetrahydro-2-phenyl-
- IUPAC
- 2-phenyl-1,3-thiazinane
Names & synonyms
2H-1,3-Thiazine, tetrahydro-2-phenyl-3592-66-3RefChem:10650292-Phenyltetrahydro-2H-1,3-thiazineNSC 66050BRN 0973625NSC66050SCHEMBL11277564DTXSID001384942NSC-66050AKOS014776834
Database identifiers
- CAS
3592-66-3- PubChem CID
- 97990
- DTXSID
DTXSID001384942
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 132
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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