Basic information
- CAS
37004-69-6- Standard SMILES
c1ccc2c(c1)NC1CCCCC1S2- InChIKey
GCAFFHUTHFEBEP-UHFFFAOYSA-N- Molecular formula
- C12H15NS
- Average molar mass
- 205.32 g/mol
- Monoisotopic mass
- 205.09252066
Names & identifiers
- Preferred name
- Phenothiazine, 1,2,3,4,4a,10a-hexahydro-
- IUPAC
- 2,3,4,4a,10,10a-hexahydro-1H-phenothiazine
Names & synonyms
37004-69-6Phenothiazine, 1,2,3,4,4a,10a-hexahydro-RefChem:10949562,3,4,4a,10,10a-hexahydro-1h-phenothiazineBRN 00114971,2,3,4,4a,10a-Hexahydrophenothiazine4-27-00-01125 (Beilstein Handbook Reference)SCHEMBL21311779DTXSID70958180
Database identifiers
- CAS
37004-69-6- PubChem CID
- 216010
- DTXSID
DTXSID70958180- Nikkaji
- J50.189A
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 206
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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