Basic information
- CAS
10023-25-3- Standard SMILES
c1ccc2c(c1)SCc1c-2[nH]c2ccc3ccccc3c12- InChIKey
BFVGPEZYBWIPMA-UHFFFAOYSA-N- Molecular formula
- C19H13NS
- Average molar mass
- 287.4 g/mol
- Monoisotopic mass
- 287.07687059
Names & identifiers
- Preferred name
- Benzo(e)(1)benzothiopyrano(4,3-b)indole, 6,13-dihydro-
- IUPAC
- 20-thia-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18-nonaene
- English name
- 6,13-Dihydrobenzo[e][1]benzothiopyrano[4,3-b]indole
- Molecular weight
- 0
Names & synonyms
10023-25-3Benzo(e)(1)benzothiopyrano(4,3-b)indole, 6,13-dihydro-6,13-Dihydrobenzo(e)(1)benzothiopyrano(4,3-b)indole6,13-Dihydrobenzo[e][1]benzothiopyrano[4,3-b]indoleBRN 113428920-thia-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18-nonaeneDTXSID50143037
Database identifiers
- CAS
10023-25-3- PubChem CID
- 82298
- DTXSID
DTXSID50143037- Nikkaji
- J35.604B
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 397
Physicochemical properties
- Density
- 1.1837 · 1.1837 (rough estimate)
- refractive index
- 1.53 · 1.5300 (estimate)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…