Basic information
- CAS
136723-25-6- Standard SMILES
C=CCN1Cc2cccc3c2C(CC1C)C(=S)N3- InChIKey
VTUNUHGIEDPNGY-UHFFFAOYSA-N- Molecular formula
- C15H18N2S
- Average molar mass
- 258.4 g/mol
- Monoisotopic mass
- 258.11906976
Names & identifiers
- Preferred name
- (+-)-1,2a,3,4,5,6-Hexahydro-4-methyl-5-allyl-2H-azepino(5,4,3-cd)indole-2-thione
- IUPAC
- 11-methyl-10-prop-2-enyl-3,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene-2-thione
Names & synonyms
136723-25-6(+-)-1,2a,3,4,5,6-Hexahydro-4-methyl-5-allyl-2H-azepino(5,4,3-cd)indole-2-thione2H-Azepino(5,4,3-cd)indole-2-thione, 1,2a,3,4,5,6-hexahydro-4-methyl-5-(2-propenyl)-(+-)-1,2a,3,4,5,6-Hexahydro-4-methyl-5-allyl-2H-azepino[5,4,3-cd]indole-2-thione2H-Azepino[5,4,3-cd]indole-2-thione, 1,2a,3,4,5,6-hexahydro-4-methyl-5-(2-propenyl)-CHEMBL322764DTXSID509295304-Methyl-5-(prop-2-en-1-yl)-3,4,5,6-tetrahydro-2aH-azepino[5,4,3-cd]indole-2-thiol
Database identifiers
- CAS
136723-25-6- PubChem CID
- 3000358
- DTXSID
DTXSID50929530- ChEMBL
CHEMBL322764- Nikkaji
- J449.416D
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 47.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 354
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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